N,N-dimethyl-2-propan-2-ylsulfanylethanamine;1-methyl-4-propan-2-ylpiperazine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine

C23H55N5S — CID 167711014

IUPACN,N-dimethyl-2-propan-2-ylsulfanylethanamine;1-methyl-4-propan-2-ylpiperazine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCN(C)C.CC(C)N1CCN(C)CC1.CC(C)SCCN(C)C
InChIInChI=1S/C8H18N2.C8H20N2.C7H17NS/c1-8(2)10-6-4-9(3)5-7-10;1-8(2)10(5)7-6-9(3)4;1-7(2)9-6-5-8(3)4/h8H,4-7H2,1-3H3;8H,6-7H2,1-5H3;7H,5-6H2,1-4H3
InChIKeyZVKWPCIAGOPRJL-UHFFFAOYSA-N
MW433.80 g/mol
LogP3.22
Rot. Bonds9

About N,N-dimethyl-2-propan-2-ylsulfanylethanamine;1-methyl-4-propan-2-ylpiperazine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine

N,N-dimethyl-2-propan-2-ylsulfanylethanamine;1-methyl-4-propan-2-ylpiperazine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 167711014) has the molecular formula C23H55N5S and a molecular weight of 433.80 g/mol. Its IUPAC name is N,N-dimethyl-2-propan-2-ylsulfanylethanamine;1-methyl-4-propan-2-ylpiperazine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-2-propan-2-ylsulfanylethanamine;1-methyl-4-propan-2-ylpiperazine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID167711014
Molecular FormulaC23H55N5S
Molecular Weight433.80 g/mol
Exact Mass433.42
IUPAC NameN,N-dimethyl-2-propan-2-ylsulfanylethanamine;1-methyl-4-propan-2-ylpiperazine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCN(C)C.CC(C)N1CCN(C)CC1.CC(C)SCCN(C)C
InChIInChI=1S/C8H18N2.C8H20N2.C7H17NS/c1-8(2)10-6-4-9(3)5-7-10;1-8(2)10(5)7-6-9(3)4;1-7(2)9-6-5-8(3)4/h8H,4-7H2,1-3H3;8H,6-7H2,1-5H3;7H,5-6H2,1-4H3
InChIKeyZVKWPCIAGOPRJL-UHFFFAOYSA-N
XLogP3.22
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.80
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-2-propan-2-ylsulfanylethanamine;1-methyl-4-propan-2-ylpiperazine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine with MolForge

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Related Compounds

N,N'-dimethyl-N,N'-di(propan-2-yl)ethane-1,2-diamine;1,4-di(propan-2-yl)piperazine;N-methyl-N-(2-propan-2-ylsulfanylethyl)propan-2-amine
CID 167612038
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
1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 157390684
1-methyl-4-propan-2-ylpiperazine
CID 7471963
propane;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine
CID 143725559
1-methyl-4-(2-propan-2-ylsulfanylethyl)piperazine
CID 130474542
formaldehyde;1-methyl-4-propan-2-ylpiperazine
CID 157498732
1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane
CID 170616932
1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine
CID 170586361
N-methyl-N-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)propan-1-amine
CID 170195980
N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine
CID 70961776
N,N-dimethyl-2-(3-propan-2-yl-3,9-diazaspiro[5.5]undecan-9-yl)ethanamine
CID 176824106

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-propan-2-ylsulfanylethanamine;1-methyl-4-propan-2-ylpiperazine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of 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) is N,N-dimethyl-2-propan-2-ylsulfanylethanamine;1-methyl-4-propan-2-ylpiperazine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-2-propan-2-ylsulfanylethanamine;1-methyl-4-propan-2-ylpiperazine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-2-propan-2-ylsulfanylethanamine;1-methyl-4-propan-2-ylpiperazine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine is CC(C)N(C)CCN(C)C.CC(C)N1CCN(C)CC1.CC(C)SCCN(C)C.
What is the InChIKey of N,N-dimethyl-2-propan-2-ylsulfanylethanamine;1-methyl-4-propan-2-ylpiperazine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is ZVKWPCIAGOPRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C8H20N2.C7H17NS/c1-8(2)10-6-4-9(3)5-7-10;1-8(2)10(5)7-6-9(3)4;1-7(2)9-6-5-8(3)4/h8H,4-7H2,1-3H3;8H,6-7H2,1-5H3;7H,5-6H2,1-4H3.
What are the key properties of N,N-dimethyl-2-propan-2-ylsulfanylethanamine;1-methyl-4-propan-2-ylpiperazine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine?
N,N-dimethyl-2-propan-2-ylsulfanylethanamine;1-methyl-4-propan-2-ylpiperazine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 433.80 g/mol, XLogP of 3.22, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-propan-2-ylsulfanylethanamine;1-methyl-4-propan-2-ylpiperazine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 167711014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).