2-N-butyl-2-N-ethyl-3,5-dimethyl-1-N-propylcyclohexane-1,2-diamine

C17H36N2 — CID 64724626

IUPAC2-N-butyl-2-N-ethyl-3,5-dimethyl-1-N-propylcyclohexane-1,2-diamine
SMILESCCCCN(CC)C1C(C)CC(C)CC1NCCC
InChIInChI=1S/C17H36N2/c1-6-9-11-19(8-3)17-15(5)12-14(4)13-16(17)18-10-7-2/h14-18H,6-13H2,1-5H3
InChIKeySHXPPZWAMGPGEO-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds8

About 2-N-butyl-2-N-ethyl-3,5-dimethyl-1-N-propylcyclohexane-1,2-diamine

2-N-butyl-2-N-ethyl-3,5-dimethyl-1-N-propylcyclohexane-1,2-diamine (PubChem CID 64724626) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 2-N-butyl-2-N-ethyl-3,5-dimethyl-1-N-propylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-butyl-2-N-ethyl-3,5-dimethyl-1-N-propylcyclohexane-1,2-diamine
PubChem CID64724626
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name2-N-butyl-2-N-ethyl-3,5-dimethyl-1-N-propylcyclohexane-1,2-diamine
SMILESCCCCN(CC)C1C(C)CC(C)CC1NCCC
InChIInChI=1S/C17H36N2/c1-6-9-11-19(8-3)17-15(5)12-14(4)13-16(17)18-10-7-2/h14-18H,6-13H2,1-5H3
InChIKeySHXPPZWAMGPGEO-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

2-N-butyl-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine
CID 64724627
2-N-butyl-2-N,3,5-trimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64724621
2-N,2-N-bis(2-methoxyethyl)-3,5-dimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64753309
3,5-dimethyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine
CID 64750941
2-N-(cyclopropylmethyl)-3,5-dimethyl-1-N,2-N-dipropylcyclohexane-1,2-diamine
CID 64752522
2-N-butyl-2-N-ethyl-4-methyl-1-N-propylcyclohexane-1,2-diamine
CID 63466576
2-N-ethyl-1-N,3,5-trimethyl-2-N-propylcyclohexane-1,2-diamine
CID 64724640
2-[[butyl(ethyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64735419
2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine
CID 102992390
2-N,3,5-trimethyl-2-N-pentan-3-yl-1-N-propylcyclohexane-1,2-diamine
CID 64723005
2-N,3,5-trimethyl-2-N-(4-methylcyclohexyl)-1-N-propylcyclohexane-1,2-diamine
CID 64751336
2-N,3,5-trimethyl-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine
CID 64724835

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-2-N-ethyl-3,5-dimethyl-1-N-propylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-butyl-2-N-ethyl-3,5-dimethyl-1-N-propylcyclohexane-1,2-diamine (CID 64724626) is 2-N-butyl-2-N-ethyl-3,5-dimethyl-1-N-propylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-butyl-2-N-ethyl-3,5-dimethyl-1-N-propylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-butyl-2-N-ethyl-3,5-dimethyl-1-N-propylcyclohexane-1,2-diamine is CCCCN(CC)C1C(C)CC(C)CC1NCCC.
What is the InChIKey of 2-N-butyl-2-N-ethyl-3,5-dimethyl-1-N-propylcyclohexane-1,2-diamine?
The InChIKey is SHXPPZWAMGPGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-6-9-11-19(8-3)17-15(5)12-14(4)13-16(17)18-10-7-2/h14-18H,6-13H2,1-5H3.
What are the key properties of 2-N-butyl-2-N-ethyl-3,5-dimethyl-1-N-propylcyclohexane-1,2-diamine?
2-N-butyl-2-N-ethyl-3,5-dimethyl-1-N-propylcyclohexane-1,2-diamine has a molecular weight of 268.49 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-2-N-ethyl-3,5-dimethyl-1-N-propylcyclohexane-1,2-diamine is sourced from PubChem (CID 64724626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).