4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)-1-N-propylcyclohexane-1,2-diamine

C17H36N2 — CID 63983791

IUPAC4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)-1-N-propylcyclohexane-1,2-diamine
SMILESCCCNC1CCC(CC)CC1N(C)C(C)(C)CC
InChIInChI=1S/C17H36N2/c1-7-12-18-15-11-10-14(8-2)13-16(15)19(6)17(4,5)9-3/h14-16,18H,7-13H2,1-6H3
InChIKeyBOHMVTCJAXHDOQ-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.05
Rot. Bonds7

About 4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)-1-N-propylcyclohexane-1,2-diamine

4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)-1-N-propylcyclohexane-1,2-diamine (PubChem CID 63983791) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)-1-N-propylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)-1-N-propylcyclohexane-1,2-diamine
PubChem CID63983791
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)-1-N-propylcyclohexane-1,2-diamine
SMILESCCCNC1CCC(CC)CC1N(C)C(C)(C)CC
InChIInChI=1S/C17H36N2/c1-7-12-18-15-11-10-14(8-2)13-16(15)19(6)17(4,5)9-3/h14-16,18H,7-13H2,1-6H3
InChIKeyBOHMVTCJAXHDOQ-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)cyclohexane-1,2-diamine
CID 63980553
2-N,4-diethyl-2-N-(2-ethylbutyl)-1-N-propylcyclohexane-1,2-diamine
CID 63468498
4-ethyl-2-N-propan-2-yl-1-N,2-N-dipropylcyclohexane-1,2-diamine
CID 63464854
4-ethyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 63469963
4-ethyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine
CID 63467792
2-(3,3-dimethylbutyl)-4-ethyl-N-propylcyclohexan-1-amine
CID 63403718
2-N-methyl-4-(2-methylbutan-2-yl)-1-N,2-N-dipropylcyclohexane-1,2-diamine
CID 63467170
1-N,4-diethyl-2-N-methyl-2-N-(4-methylcyclohexyl)cyclohexane-1,2-diamine
CID 63468495
N-methyl-N-(2-methylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine
CID 81005048
4-ethyl-2-[[ethyl(propyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63483081
4-tert-butyl-2-N-methyl-2-N-(2-methylbutyl)-1-N-propylcyclohexane-1,2-diamine
CID 63469543
2-N-butyl-4-tert-butyl-2-N-methyl-1-N-propylcyclohexane-1,2-diamine
CID 63466743

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)-1-N-propylcyclohexane-1,2-diamine?
The IUPAC name of 4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)-1-N-propylcyclohexane-1,2-diamine (CID 63983791) is 4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)-1-N-propylcyclohexane-1,2-diamine.
What is the SMILES notation for 4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)-1-N-propylcyclohexane-1,2-diamine?
The canonical SMILES for 4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)-1-N-propylcyclohexane-1,2-diamine is CCCNC1CCC(CC)CC1N(C)C(C)(C)CC.
What is the InChIKey of 4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)-1-N-propylcyclohexane-1,2-diamine?
The InChIKey is BOHMVTCJAXHDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-7-12-18-15-11-10-14(8-2)13-16(15)19(6)17(4,5)9-3/h14-16,18H,7-13H2,1-6H3.
What are the key properties of 4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)-1-N-propylcyclohexane-1,2-diamine?
4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)-1-N-propylcyclohexane-1,2-diamine has a molecular weight of 268.49 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)-1-N-propylcyclohexane-1,2-diamine is sourced from PubChem (CID 63983791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).