1-N,2-N-diethyl-4-(2-methylbutan-2-yl)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine

C19H40N2 — CID 63468083

IUPAC1-N,2-N-diethyl-4-(2-methylbutan-2-yl)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine
SMILESCCNC1CCC(C(C)(C)CC)CC1N(CC)CC(C)C
InChIInChI=1S/C19H40N2/c1-8-19(6,7)16-11-12-17(20-9-2)18(13-16)21(10-3)14-15(4)5/h15-18,20H,8-14H2,1-7H3
InChIKeyQJZVSLMMWDHRET-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.55
Rot. Bonds8

About 1-N,2-N-diethyl-4-(2-methylbutan-2-yl)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine

1-N,2-N-diethyl-4-(2-methylbutan-2-yl)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine (PubChem CID 63468083) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 1-N,2-N-diethyl-4-(2-methylbutan-2-yl)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-diethyl-4-(2-methylbutan-2-yl)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine
PubChem CID63468083
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name1-N,2-N-diethyl-4-(2-methylbutan-2-yl)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine
SMILESCCNC1CCC(C(C)(C)CC)CC1N(CC)CC(C)C
InChIInChI=1S/C19H40N2/c1-8-19(6,7)16-11-12-17(20-9-2)18(13-16)21(10-3)14-15(4)5/h15-18,20H,8-14H2,1-7H3
InChIKeyQJZVSLMMWDHRET-UHFFFAOYSA-N
XLogP4.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N,2-N-diethyl-4-(2-methylbutan-2-yl)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine with MolForge

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Related Compounds

2-(aminomethyl)-N-ethyl-5-(2-methylbutan-2-yl)-N-(2-methylpropyl)cyclohexan-1-amine
CID 43293746
4-tert-butyl-2-N-(cyclopropylmethyl)-1-N,2-N-diethylcyclohexane-1,2-diamine
CID 63955959
2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine
CID 63956178
2-N-butyl-2-N-ethyl-1-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine
CID 63466038
N-ethyl-4-(2-methylbutan-2-yl)-2-propan-2-ylsulfonylcyclohexan-1-amine
CID 64674025
1-N,2-N,4-triethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine
CID 79476839
2-N-methyl-4-(2-methylbutan-2-yl)-1-N,2-N-dipropylcyclohexane-1,2-diamine
CID 63467170
2-N-ethyl-2-N-(2-methylpropyl)-1-N-propylcyclooctane-1,2-diamine
CID 63467359
(1R,2R,4R)-1-N-ethyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 134438157
N-ethyl-4-(2-methylbutan-2-yl)-2-(2-methylpyrrolidin-1-yl)cyclohexan-1-amine
CID 63469389
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
CID 79376641
2-(aminomethyl)-N-butan-2-yl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43293755

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-diethyl-4-(2-methylbutan-2-yl)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine?
The IUPAC name of 1-N,2-N-diethyl-4-(2-methylbutan-2-yl)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine (CID 63468083) is 1-N,2-N-diethyl-4-(2-methylbutan-2-yl)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-diethyl-4-(2-methylbutan-2-yl)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine?
The canonical SMILES for 1-N,2-N-diethyl-4-(2-methylbutan-2-yl)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine is CCNC1CCC(C(C)(C)CC)CC1N(CC)CC(C)C.
What is the InChIKey of 1-N,2-N-diethyl-4-(2-methylbutan-2-yl)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine?
The InChIKey is QJZVSLMMWDHRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-8-19(6,7)16-11-12-17(20-9-2)18(13-16)21(10-3)14-15(4)5/h15-18,20H,8-14H2,1-7H3.
What are the key properties of 1-N,2-N-diethyl-4-(2-methylbutan-2-yl)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine?
1-N,2-N-diethyl-4-(2-methylbutan-2-yl)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine has a molecular weight of 296.54 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-diethyl-4-(2-methylbutan-2-yl)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 63468083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).