N,N-dimethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine

C36H83N7O — CID 167697497

IUPACN,N-dimethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)C.CC(C)N(C)CCN(C)C.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1
InChIInChI=1S/C8H18N2.C8H20N2.C8H17N.C7H15NO.C5H13N/c1-8(2)10-6-4-9(3)5-7-10;1-8(2)10(5)7-6-9(3)4;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-5(2)6(3)4/h8H,4-7H2,1-3H3;8H,6-7H2,1-5H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;5H,1-4H3
InChIKeyXWNUEVBLBZPQJI-UHFFFAOYSA-N
MW630.11 g/mol
LogP5.09
Rot. Bonds8

About N,N-dimethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine

N,N-dimethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 167697497) has the molecular formula C36H83N7O and a molecular weight of 630.11 g/mol. Its IUPAC name is N,N-dimethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID167697497
Molecular FormulaC36H83N7O
Molecular Weight630.11 g/mol
Exact Mass629.67
IUPAC NameN,N-dimethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)C.CC(C)N(C)CCN(C)C.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1
InChIInChI=1S/C8H18N2.C8H20N2.C8H17N.C7H15NO.C5H13N/c1-8(2)10-6-4-9(3)5-7-10;1-8(2)10(5)7-6-9(3)4;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-5(2)6(3)4/h8H,4-7H2,1-3H3;8H,6-7H2,1-5H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;5H,1-4H3
InChIKeyXWNUEVBLBZPQJI-UHFFFAOYSA-N
XLogP5.09
TPSA31.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.11
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N,N-dimethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine with MolForge

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Launch Full Analysis

Related Compounds

1,4-di(propan-2-yl)piperazine;tetrakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158438628
1-methylpiperidine;4-propan-2-ylmorpholine
CID 176969911
N,N-dimethyl-2-propan-2-ylsulfanylethanamine;1-methyl-4-propan-2-ylpiperazine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine
CID 167711014
1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane
CID 170616932
N,N-dimethylpropan-2-amine;methane;1-propan-2-ylpiperidine
CID 159892581
N,N-diethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;propan-2-amine;2-propan-2-ylguanidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158977809
4-propan-2-yl-1,4-oxazepane;hydrate
CID 176712925
4-[3-(4-methylpiperazin-1-yl)butan-2-yl]morpholine
CID 167278501
ethane;1-methylazepane;1-propan-2-ylpiperidine
CID 170601993
1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 157390684
1-methyl-4-propan-2-ylpiperazine
CID 7471963
1-propan-2-ylazetidine;1-propan-2-ylimidazolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 167703240

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N,N-dimethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine (CID 167697497) is N,N-dimethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N,N-dimethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N,N-dimethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine is CC(C)N(C)C.CC(C)N(C)CCN(C)C.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.
What is the InChIKey of N,N-dimethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is XWNUEVBLBZPQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C8H20N2.C8H17N.C7H15NO.C5H13N/c1-8(2)10-6-4-9(3)5-7-10;1-8(2)10(5)7-6-9(3)4;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-5(2)6(3)4/h8H,4-7H2,1-3H3;8H,6-7H2,1-5H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;5H,1-4H3.
What are the key properties of N,N-dimethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine?
N,N-dimethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 630.11 g/mol, XLogP of 5.09, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 167697497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).