2-N,3,5-trimethyl-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine

C16H34N2 — CID 64724835

IUPAC2-N,3,5-trimethyl-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine
SMILESCCCNC1CC(C)CC(C)C1N(C)CC(C)C
InChIInChI=1S/C16H34N2/c1-7-8-17-15-10-13(4)9-14(5)16(15)18(6)11-12(2)3/h12-17H,7-11H2,1-6H3
InChIKeyNGTYSBJIBCWVTO-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.38
Rot. Bonds6

About 2-N,3,5-trimethyl-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine

2-N,3,5-trimethyl-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine (PubChem CID 64724835) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 2-N,3,5-trimethyl-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N,3,5-trimethyl-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine
PubChem CID64724835
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name2-N,3,5-trimethyl-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine
SMILESCCCNC1CC(C)CC(C)C1N(C)CC(C)C
InChIInChI=1S/C16H34N2/c1-7-8-17-15-10-13(4)9-14(5)16(15)18(6)11-12(2)3/h12-17H,7-11H2,1-6H3
InChIKeyNGTYSBJIBCWVTO-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine
CID 64750941
2-N,3,5-trimethyl-2-N-(4-methylpentan-2-yl)-1-N-propylcyclohexane-1,2-diamine
CID 64751152
2-N-butyl-2-N,3,5-trimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64724621
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-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,3,5-trimethyl-2-N-(oxan-3-ylmethyl)-1-N-propylcyclohexane-1,2-diamine
CID 64751179
2-N-butyl-2-N-ethyl-3,5-dimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64724626
2-N,2-N-bis(2-methoxyethyl)-3,5-dimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64753309
1-N-ethyl-2-N,3,5-trimethyl-2-N-pentylcyclohexane-1,2-diamine
CID 64724849
2-N-(cyclopropylmethyl)-3,5-dimethyl-1-N,2-N-dipropylcyclohexane-1,2-diamine
CID 64752522

Frequently Asked Questions

What is the IUPAC name of 2-N,3,5-trimethyl-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine?
The IUPAC name of 2-N,3,5-trimethyl-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine (CID 64724835) is 2-N,3,5-trimethyl-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N,3,5-trimethyl-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N,3,5-trimethyl-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine is CCCNC1CC(C)CC(C)C1N(C)CC(C)C.
What is the InChIKey of 2-N,3,5-trimethyl-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine?
The InChIKey is NGTYSBJIBCWVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-8-17-15-10-13(4)9-14(5)16(15)18(6)11-12(2)3/h12-17H,7-11H2,1-6H3.
What are the key properties of 2-N,3,5-trimethyl-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine?
2-N,3,5-trimethyl-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.38, 6 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-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine is sourced from PubChem (CID 64724835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).