2-N,3,5-trimethyl-2-N-pentan-3-yl-1-N-propylcyclohexane-1,2-diamine

C17H36N2 — CID 64723005

IUPAC2-N,3,5-trimethyl-2-N-pentan-3-yl-1-N-propylcyclohexane-1,2-diamine
SMILESCCCNC1CC(C)CC(C)C1N(C)C(CC)CC
InChIInChI=1S/C17H36N2/c1-7-10-18-16-12-13(4)11-14(5)17(16)19(6)15(8-2)9-3/h13-18H,7-12H2,1-6H3
InChIKeyCGBAWSMBIDSUNS-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds7

About 2-N,3,5-trimethyl-2-N-pentan-3-yl-1-N-propylcyclohexane-1,2-diamine

2-N,3,5-trimethyl-2-N-pentan-3-yl-1-N-propylcyclohexane-1,2-diamine (PubChem CID 64723005) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 2-N,3,5-trimethyl-2-N-pentan-3-yl-1-N-propylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N,3,5-trimethyl-2-N-pentan-3-yl-1-N-propylcyclohexane-1,2-diamine
PubChem CID64723005
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name2-N,3,5-trimethyl-2-N-pentan-3-yl-1-N-propylcyclohexane-1,2-diamine
SMILESCCCNC1CC(C)CC(C)C1N(C)C(CC)CC
InChIInChI=1S/C17H36N2/c1-7-10-18-16-12-13(4)11-14(5)17(16)19(6)15(8-2)9-3/h13-18H,7-12H2,1-6H3
InChIKeyCGBAWSMBIDSUNS-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

2-N,3,5-trimethyl-2-N-(4-methylpentan-2-yl)-1-N-propylcyclohexane-1,2-diamine
CID 64751152
2-N,3,5-trimethyl-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine
CID 64724835
2-N,3,5-trimethyl-2-N-(4-methylcyclohexyl)-1-N-propylcyclohexane-1,2-diamine
CID 64751336
2-N-butyl-2-N,3,5-trimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64724621
3,5-dimethyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine
CID 64750941
2-N-cyclopentyl-2-N,3,5-trimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64723407
2-N,3,5-trimethyl-2-N-(2-methylcyclohexyl)-1-N-propylcyclohexane-1,2-diamine
CID 64750765
2-N-butyl-2-N-ethyl-3,5-dimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64724626
1-N-ethyl-2-N,3,5-trimethyl-2-N-(3-methylbutan-2-yl)cyclohexane-1,2-diamine
CID 64722812
2-N,2-N-bis(2-methoxyethyl)-3,5-dimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64753309
2-N-(cyclopropylmethyl)-3,5-dimethyl-1-N,2-N-dipropylcyclohexane-1,2-diamine
CID 64752522
2-[[ethyl(methyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736412

Frequently Asked Questions

What is the IUPAC name of 2-N,3,5-trimethyl-2-N-pentan-3-yl-1-N-propylcyclohexane-1,2-diamine?
The IUPAC name of 2-N,3,5-trimethyl-2-N-pentan-3-yl-1-N-propylcyclohexane-1,2-diamine (CID 64723005) is 2-N,3,5-trimethyl-2-N-pentan-3-yl-1-N-propylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N,3,5-trimethyl-2-N-pentan-3-yl-1-N-propylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N,3,5-trimethyl-2-N-pentan-3-yl-1-N-propylcyclohexane-1,2-diamine is CCCNC1CC(C)CC(C)C1N(C)C(CC)CC.
What is the InChIKey of 2-N,3,5-trimethyl-2-N-pentan-3-yl-1-N-propylcyclohexane-1,2-diamine?
The InChIKey is CGBAWSMBIDSUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-7-10-18-16-12-13(4)11-14(5)17(16)19(6)15(8-2)9-3/h13-18H,7-12H2,1-6H3.
What are the key properties of 2-N,3,5-trimethyl-2-N-pentan-3-yl-1-N-propylcyclohexane-1,2-diamine?
2-N,3,5-trimethyl-2-N-pentan-3-yl-1-N-propylcyclohexane-1,2-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 2-N,3,5-trimethyl-2-N-pentan-3-yl-1-N-propylcyclohexane-1,2-diamine is sourced from PubChem (CID 64723005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).