2-N-methyl-2-N-(3-methylbutan-2-yl)-4-propan-2-ylcyclohexane-1,2-diamine

C15H32N2 — CID 55105769

IUPAC2-N-methyl-2-N-(3-methylbutan-2-yl)-4-propan-2-ylcyclohexane-1,2-diamine
SMILESCC(C)C1CCC(N)C(N(C)C(C)C(C)C)C1
InChIInChI=1S/C15H32N2/c1-10(2)12(5)17(6)15-9-13(11(3)4)7-8-14(15)16/h10-15H,7-9,16H2,1-6H3
InChIKeyVHRATAJXLHRKBV-UHFFFAOYSA-N
MW240.44 g/mol
LogP3.11
Rot. Bonds4

About 2-N-methyl-2-N-(3-methylbutan-2-yl)-4-propan-2-ylcyclohexane-1,2-diamine

2-N-methyl-2-N-(3-methylbutan-2-yl)-4-propan-2-ylcyclohexane-1,2-diamine (PubChem CID 55105769) has the molecular formula C15H32N2 and a molecular weight of 240.44 g/mol. Its IUPAC name is 2-N-methyl-2-N-(3-methylbutan-2-yl)-4-propan-2-ylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(3-methylbutan-2-yl)-4-propan-2-ylcyclohexane-1,2-diamine
PubChem CID55105769
Molecular FormulaC15H32N2
Molecular Weight240.44 g/mol
Exact Mass240.26
IUPAC Name2-N-methyl-2-N-(3-methylbutan-2-yl)-4-propan-2-ylcyclohexane-1,2-diamine
SMILESCC(C)C1CCC(N)C(N(C)C(C)C(C)C)C1
InChIInChI=1S/C15H32N2/c1-10(2)12(5)17(6)15-9-13(11(3)4)7-8-14(15)16/h10-15H,7-9,16H2,1-6H3
InChIKeyVHRATAJXLHRKBV-UHFFFAOYSA-N
XLogP3.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-methyl-2-N-pentan-3-yl-4-propan-2-ylcyclohexane-1,2-diamine
CID 62701630
2-N-cycloheptyl-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 63469021
4-propan-2-ylcyclohexane-1,2-diamine
CID 22415223
2-N,2-N-bis(3-methylbutyl)-4-propan-2-ylcyclohexane-1,2-diamine
CID 107869613
2-N-(4-ethylcyclohexyl)-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 63469238
2-N-methyl-2-N-(1-methylpiperidin-3-yl)-4-propan-2-ylcyclohexane-1,2-diamine
CID 62708595
4-ethyl-2-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 16781866
(3S)-3-propan-2-ylcyclopentan-1-amine
CID 140882360
2-[[cyclopropylmethyl(methyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62709059
2-(aminomethyl)-5-ethyl-N-methyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine
CID 43569707
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 62708961
2-(3-methylbutyl)-4-propan-2-ylcyclohexan-1-amine
CID 63401726

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(3-methylbutan-2-yl)-4-propan-2-ylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(3-methylbutan-2-yl)-4-propan-2-ylcyclohexane-1,2-diamine (CID 55105769) is 2-N-methyl-2-N-(3-methylbutan-2-yl)-4-propan-2-ylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(3-methylbutan-2-yl)-4-propan-2-ylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(3-methylbutan-2-yl)-4-propan-2-ylcyclohexane-1,2-diamine is CC(C)C1CCC(N)C(N(C)C(C)C(C)C)C1.
What is the InChIKey of 2-N-methyl-2-N-(3-methylbutan-2-yl)-4-propan-2-ylcyclohexane-1,2-diamine?
The InChIKey is VHRATAJXLHRKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-10(2)12(5)17(6)15-9-13(11(3)4)7-8-14(15)16/h10-15H,7-9,16H2,1-6H3.
What are the key properties of 2-N-methyl-2-N-(3-methylbutan-2-yl)-4-propan-2-ylcyclohexane-1,2-diamine?
2-N-methyl-2-N-(3-methylbutan-2-yl)-4-propan-2-ylcyclohexane-1,2-diamine has a molecular weight of 240.44 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(3-methylbutan-2-yl)-4-propan-2-ylcyclohexane-1,2-diamine is sourced from PubChem (CID 55105769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).