2-N,2-N-bis(3-methylbutyl)-4-propan-2-ylcyclohexane-1,2-diamine

C19H40N2 — CID 107869613

IUPAC2-N,2-N-bis(3-methylbutyl)-4-propan-2-ylcyclohexane-1,2-diamine
SMILESCC(C)CCN(CCC(C)C)C1CC(C(C)C)CCC1N
InChIInChI=1S/C19H40N2/c1-14(2)9-11-21(12-10-15(3)4)19-13-17(16(5)6)7-8-18(19)20/h14-19H,7-13,20H2,1-6H3
InChIKeyXOQLWNXCNOTPSW-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.53
Rot. Bonds8

About 2-N,2-N-bis(3-methylbutyl)-4-propan-2-ylcyclohexane-1,2-diamine

2-N,2-N-bis(3-methylbutyl)-4-propan-2-ylcyclohexane-1,2-diamine (PubChem CID 107869613) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 2-N,2-N-bis(3-methylbutyl)-4-propan-2-ylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-bis(3-methylbutyl)-4-propan-2-ylcyclohexane-1,2-diamine
PubChem CID107869613
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name2-N,2-N-bis(3-methylbutyl)-4-propan-2-ylcyclohexane-1,2-diamine
SMILESCC(C)CCN(CCC(C)C)C1CC(C(C)C)CCC1N
InChIInChI=1S/C19H40N2/c1-14(2)9-11-21(12-10-15(3)4)19-13-17(16(5)6)7-8-18(19)20/h14-19H,7-13,20H2,1-6H3
InChIKeyXOQLWNXCNOTPSW-UHFFFAOYSA-N
XLogP4.53
TPSA29.26 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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylbutyl)-4-propan-2-ylcyclohexan-1-amine
CID 63401726
2-N-methyl-2-N-pentan-3-yl-4-propan-2-ylcyclohexane-1,2-diamine
CID 62701630
3-N,3-N-bis(3-methylbutyl)oxane-3,4-diamine
CID 107869710
2-N-methyl-2-N-(3-methylbutan-2-yl)-4-propan-2-ylcyclohexane-1,2-diamine
CID 55105769
4-propan-2-ylcyclohexane-1,2-diamine
CID 22415223
2-N-cycloheptyl-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 63469021
2-N-(4-ethylcyclohexyl)-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 63469238
2-(3-methylbutylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
CID 107760465
2-[[cyclopropyl(3-methylbutyl)amino]methyl]-4-methylcyclohexan-1-amine
CID 78991236
2-N-methyl-2-N-(1-methylpiperidin-3-yl)-4-propan-2-ylcyclohexane-1,2-diamine
CID 62708595
1-[4-methyl-1-(4-propan-2-ylcyclohexyl)pentyl]-4-propan-2-ylcyclohexane
CID 59268412
2-N-cyclopropyl-4-ethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine
CID 78974066

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-bis(3-methylbutyl)-4-propan-2-ylcyclohexane-1,2-diamine?
The IUPAC name of 2-N,2-N-bis(3-methylbutyl)-4-propan-2-ylcyclohexane-1,2-diamine (CID 107869613) is 2-N,2-N-bis(3-methylbutyl)-4-propan-2-ylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-bis(3-methylbutyl)-4-propan-2-ylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N,2-N-bis(3-methylbutyl)-4-propan-2-ylcyclohexane-1,2-diamine is CC(C)CCN(CCC(C)C)C1CC(C(C)C)CCC1N.
What is the InChIKey of 2-N,2-N-bis(3-methylbutyl)-4-propan-2-ylcyclohexane-1,2-diamine?
The InChIKey is XOQLWNXCNOTPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-14(2)9-11-21(12-10-15(3)4)19-13-17(16(5)6)7-8-18(19)20/h14-19H,7-13,20H2,1-6H3.
What are the key properties of 2-N,2-N-bis(3-methylbutyl)-4-propan-2-ylcyclohexane-1,2-diamine?
2-N,2-N-bis(3-methylbutyl)-4-propan-2-ylcyclohexane-1,2-diamine has a molecular weight of 296.54 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-bis(3-methylbutyl)-4-propan-2-ylcyclohexane-1,2-diamine is sourced from PubChem (CID 107869613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).