1-[amino-(3,5-dimethylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine

C17H28N2 — CID 79065979

IUPAC1-[amino-(3,5-dimethylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCc1cc(C)cc(C(N)C2(N(C)C)CCCCC2)c1
InChIInChI=1S/C17H28N2/c1-13-10-14(2)12-15(11-13)16(18)17(19(3)4)8-6-5-7-9-17/h10-12,16H,5-9,18H2,1-4H3
InChIKeySWGIUPQOLFQBDH-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.57
Rot. Bonds3

About 1-[amino-(3,5-dimethylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine

1-[amino-(3,5-dimethylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 79065979) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-[amino-(3,5-dimethylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[amino-(3,5-dimethylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID79065979
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-[amino-(3,5-dimethylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCc1cc(C)cc(C(N)C2(N(C)C)CCCCC2)c1
InChIInChI=1S/C17H28N2/c1-13-10-14(2)12-15(11-13)16(18)17(19(3)4)8-6-5-7-9-17/h10-12,16H,5-9,18H2,1-4H3
InChIKeySWGIUPQOLFQBDH-UHFFFAOYSA-N
XLogP3.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[amino-(3,5-dimethylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[amino-(3,5-dimethylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine (CID 79065979) is 1-[amino-(3,5-dimethylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[amino-(3,5-dimethylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[amino-(3,5-dimethylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine is Cc1cc(C)cc(C(N)C2(N(C)C)CCCCC2)c1.
What is the InChIKey of 1-[amino-(3,5-dimethylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is SWGIUPQOLFQBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-10-14(2)12-15(11-13)16(18)17(19(3)4)8-6-5-7-9-17/h10-12,16H,5-9,18H2,1-4H3.
What are the key properties of 1-[amino-(3,5-dimethylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine?
1-[amino-(3,5-dimethylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(3,5-dimethylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79065979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).