1-(3,4-dimethylcyclohexyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine

C17H36N2 — CID 79068816

IUPAC1-(3,4-dimethylcyclohexyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
SMILESCCN(CC)C(C)(CC)C(N)C1CCC(C)C(C)C1
InChIInChI=1S/C17H36N2/c1-7-17(6,19(8-2)9-3)16(18)15-11-10-13(4)14(5)12-15/h13-16H,7-12,18H2,1-6H3
InChIKeyJBNLXNARIKMOOM-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.90
Rot. Bonds6

About 1-(3,4-dimethylcyclohexyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine

1-(3,4-dimethylcyclohexyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine (PubChem CID 79068816) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
PubChem CID79068816
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-(3,4-dimethylcyclohexyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
SMILESCCN(CC)C(C)(CC)C(N)C1CCC(C)C(C)C1
InChIInChI=1S/C17H36N2/c1-7-17(6,19(8-2)9-3)16(18)15-11-10-13(4)14(5)12-15/h13-16H,7-12,18H2,1-6H3
InChIKeyJBNLXNARIKMOOM-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine (CID 79068816) is 1-(3,4-dimethylcyclohexyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine is CCN(CC)C(C)(CC)C(N)C1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine?
The InChIKey is JBNLXNARIKMOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-7-17(6,19(8-2)9-3)16(18)15-11-10-13(4)14(5)12-15/h13-16H,7-12,18H2,1-6H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine?
1-(3,4-dimethylcyclohexyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine has a molecular weight of 268.49 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine is sourced from PubChem (CID 79068816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).