1-N,2,2-trimethyl-1-N-(2-methylcyclohexyl)-3-N-propylbutane-1,3-diamine

C17H36N2 — CID 66453429

IUPAC1-N,2,2-trimethyl-1-N-(2-methylcyclohexyl)-3-N-propylbutane-1,3-diamine
SMILESCCCNC(C)C(C)(C)CN(C)C1CCCCC1C
InChIInChI=1S/C17H36N2/c1-7-12-18-15(3)17(4,5)13-19(6)16-11-9-8-10-14(16)2/h14-16,18H,7-13H2,1-6H3
InChIKeyMNHPJIULYFPDSK-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds7

About 1-N,2,2-trimethyl-1-N-(2-methylcyclohexyl)-3-N-propylbutane-1,3-diamine

1-N,2,2-trimethyl-1-N-(2-methylcyclohexyl)-3-N-propylbutane-1,3-diamine (PubChem CID 66453429) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-N,2,2-trimethyl-1-N-(2-methylcyclohexyl)-3-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N,2,2-trimethyl-1-N-(2-methylcyclohexyl)-3-N-propylbutane-1,3-diamine
PubChem CID66453429
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-N,2,2-trimethyl-1-N-(2-methylcyclohexyl)-3-N-propylbutane-1,3-diamine
SMILESCCCNC(C)C(C)(C)CN(C)C1CCCCC1C
InChIInChI=1S/C17H36N2/c1-7-12-18-15(3)17(4,5)13-19(6)16-11-9-8-10-14(16)2/h14-16,18H,7-13H2,1-6H3
InChIKeyMNHPJIULYFPDSK-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,3-N,2,2-tetramethyl-1-N-(2-methylcyclohexyl)butane-1,3-diamine
CID 66453647
1-N-cyclopentyl-3-N-ethyl-1-N,2,2-trimethylbutane-1,3-diamine
CID 66453189
4-[methyl-(2-methylcyclohexyl)amino]-2-(propylamino)butan-1-ol
CID 64827364
3-cyclohexyl-3,4-dimethyl-N-propylpentan-2-amine
CID 130215975
1-N-butyl-1-N-cyclopropyl-2,2-dimethyl-3-N-propylbutane-1,3-diamine
CID 66453635
2-cyclopropyl-3-[methyl-(2-methylcyclohexyl)amino]-2-(propylamino)propan-1-ol
CID 64827166
2-methyl-1-[methyl-(2-methylcyclohexyl)amino]butan-2-ol
CID 114495525
1-N,2-dimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine
CID 79811731
2-[cyclohexyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol
CID 66455597
2-ethyl-N',2-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine
CID 62260337
N,N',2,2-tetramethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine
CID 62260508
2-[cyclobutyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol
CID 102870900

Frequently Asked Questions

What is the IUPAC name of 1-N,2,2-trimethyl-1-N-(2-methylcyclohexyl)-3-N-propylbutane-1,3-diamine?
The IUPAC name of 1-N,2,2-trimethyl-1-N-(2-methylcyclohexyl)-3-N-propylbutane-1,3-diamine (CID 66453429) is 1-N,2,2-trimethyl-1-N-(2-methylcyclohexyl)-3-N-propylbutane-1,3-diamine.
What is the SMILES notation for 1-N,2,2-trimethyl-1-N-(2-methylcyclohexyl)-3-N-propylbutane-1,3-diamine?
The canonical SMILES for 1-N,2,2-trimethyl-1-N-(2-methylcyclohexyl)-3-N-propylbutane-1,3-diamine is CCCNC(C)C(C)(C)CN(C)C1CCCCC1C.
What is the InChIKey of 1-N,2,2-trimethyl-1-N-(2-methylcyclohexyl)-3-N-propylbutane-1,3-diamine?
The InChIKey is MNHPJIULYFPDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-7-12-18-15(3)17(4,5)13-19(6)16-11-9-8-10-14(16)2/h14-16,18H,7-13H2,1-6H3.
What are the key properties of 1-N,2,2-trimethyl-1-N-(2-methylcyclohexyl)-3-N-propylbutane-1,3-diamine?
1-N,2,2-trimethyl-1-N-(2-methylcyclohexyl)-3-N-propylbutane-1,3-diamine has a molecular weight of 268.49 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2,2-trimethyl-1-N-(2-methylcyclohexyl)-3-N-propylbutane-1,3-diamine is sourced from PubChem (CID 66453429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).