3-N,3-N-dimethyl-1-N-(4-propan-2-ylcyclohexyl)benzene-1,3-diamine

C17H28N2 — CID 115375907

IUPAC3-N,3-N-dimethyl-1-N-(4-propan-2-ylcyclohexyl)benzene-1,3-diamine
SMILESCC(C)C1CCC(Nc2cccc(N(C)C)c2)CC1
InChIInChI=1S/C17H28N2/c1-13(2)14-8-10-15(11-9-14)18-16-6-5-7-17(12-16)19(3)4/h5-7,12-15,18H,8-11H2,1-4H3
InChIKeyQKMJHKCVXZUEIT-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.38
Rot. Bonds4

About 3-N,3-N-dimethyl-1-N-(4-propan-2-ylcyclohexyl)benzene-1,3-diamine

3-N,3-N-dimethyl-1-N-(4-propan-2-ylcyclohexyl)benzene-1,3-diamine (PubChem CID 115375907) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-1-N-(4-propan-2-ylcyclohexyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-1-N-(4-propan-2-ylcyclohexyl)benzene-1,3-diamine
PubChem CID115375907
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name3-N,3-N-dimethyl-1-N-(4-propan-2-ylcyclohexyl)benzene-1,3-diamine
SMILESCC(C)C1CCC(Nc2cccc(N(C)C)c2)CC1
InChIInChI=1S/C17H28N2/c1-13(2)14-8-10-15(11-9-14)18-16-6-5-7-17(12-16)19(3)4/h5-7,12-15,18H,8-11H2,1-4H3
InChIKeyQKMJHKCVXZUEIT-UHFFFAOYSA-N
XLogP4.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-1-N-(4-propan-2-ylcyclohexyl)benzene-1,3-diamine?
The IUPAC name of 3-N,3-N-dimethyl-1-N-(4-propan-2-ylcyclohexyl)benzene-1,3-diamine (CID 115375907) is 3-N,3-N-dimethyl-1-N-(4-propan-2-ylcyclohexyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-1-N-(4-propan-2-ylcyclohexyl)benzene-1,3-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-1-N-(4-propan-2-ylcyclohexyl)benzene-1,3-diamine is CC(C)C1CCC(Nc2cccc(N(C)C)c2)CC1.
What is the InChIKey of 3-N,3-N-dimethyl-1-N-(4-propan-2-ylcyclohexyl)benzene-1,3-diamine?
The InChIKey is QKMJHKCVXZUEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(2)14-8-10-15(11-9-14)18-16-6-5-7-17(12-16)19(3)4/h5-7,12-15,18H,8-11H2,1-4H3.
What are the key properties of 3-N,3-N-dimethyl-1-N-(4-propan-2-ylcyclohexyl)benzene-1,3-diamine?
3-N,3-N-dimethyl-1-N-(4-propan-2-ylcyclohexyl)benzene-1,3-diamine has a molecular weight of 260.43 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-1-N-(4-propan-2-ylcyclohexyl)benzene-1,3-diamine is sourced from PubChem (CID 115375907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).