N,N-dimethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine

C35H79N7O — CID 160796999

IUPACN,N-dimethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine
SMILESCC(C)N(C)C.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1
InChIInChI=1S/C8H18N2.C8H17N.C7H16N2.C7H15NO.C5H13N/c1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8;1-5(2)6(3)4/h8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;5H,1-4H3
InChIKeySCOLTUGJPADNST-UHFFFAOYSA-N
MW614.07 g/mol
LogP4.51
Rot. Bonds5

About N,N-dimethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine

N,N-dimethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine (PubChem CID 160796999) has the molecular formula C35H79N7O and a molecular weight of 614.07 g/mol. Its IUPAC name is N,N-dimethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine.

Molecular Properties

Compound NameN,N-dimethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine
PubChem CID160796999
Molecular FormulaC35H79N7O
Molecular Weight614.07 g/mol
Exact Mass613.63
IUPAC NameN,N-dimethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine
SMILESCC(C)N(C)C.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1
InChIInChI=1S/C8H18N2.C8H17N.C7H16N2.C7H15NO.C5H13N/c1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8;1-5(2)6(3)4/h8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;5H,1-4H3
InChIKeySCOLTUGJPADNST-UHFFFAOYSA-N
XLogP4.51
TPSA40.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500614.07
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Launch Full Analysis

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-ylpiperazine;1-propan-2-ylpiperidine?
The IUPAC name of N,N-dimethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine (CID 160796999) is N,N-dimethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine.
What is the SMILES notation for N,N-dimethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine?
The canonical SMILES for N,N-dimethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine is CC(C)N(C)C.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCNCC1.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-ylpiperazine;1-propan-2-ylpiperidine?
The InChIKey is SCOLTUGJPADNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C8H17N.C7H16N2.C7H15NO.C5H13N/c1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8;1-5(2)6(3)4/h8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;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-ylpiperazine;1-propan-2-ylpiperidine?
N,N-dimethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine has a molecular weight of 614.07 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 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-ylpiperazine;1-propan-2-ylpiperidine is sourced from PubChem (CID 160796999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).