1-[amino-(2-methylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine

C17H28N2 — CID 79074317

IUPAC1-[amino-(2-methylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCc1ccccc1C(N)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C17H28N2/c1-13-8-7-11-17(12-13,19(3)4)16(18)15-10-6-5-9-14(15)2/h5-6,9-10,13,16H,7-8,11-12,18H2,1-4H3
InChIKeyKUZPPVBOZWSLFG-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.51
Rot. Bonds3

About 1-[amino-(2-methylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine

1-[amino-(2-methylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 79074317) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-[amino-(2-methylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[amino-(2-methylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID79074317
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name1-[amino-(2-methylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCc1ccccc1C(N)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C17H28N2/c1-13-8-7-11-17(12-13,19(3)4)16(18)15-10-6-5-9-14(15)2/h5-6,9-10,13,16H,7-8,11-12,18H2,1-4H3
InChIKeyKUZPPVBOZWSLFG-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[amino-(4-fluoro-2-methylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074616
1-[amino-(2-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066805
1-[amino(thiophen-2-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074325
1-[amino-(4-bromothiophen-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79602152
1-[amino-(6-methyl-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074764
1-[amino-(4-ethylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79075065
1-[(2-fluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243618
1-[amino(pyrimidin-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074760
1-[hydrazinyl-(2-methoxyphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243573
1-[amino-(3-chlorothiophen-2-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 107359933
1-[amino(2,3-dihydrofuran-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 102651862
1-[amino(cyclopentyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074613

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(2-methylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[amino-(2-methylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine (CID 79074317) is 1-[amino-(2-methylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[amino-(2-methylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[amino-(2-methylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine is Cc1ccccc1C(N)C1(N(C)C)CCCC(C)C1.
What is the InChIKey of 1-[amino-(2-methylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is KUZPPVBOZWSLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-8-7-11-17(12-13,19(3)4)16(18)15-10-6-5-9-14(15)2/h5-6,9-10,13,16H,7-8,11-12,18H2,1-4H3.
What are the key properties of 1-[amino-(2-methylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[amino-(2-methylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 260.42 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(2-methylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 79074317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).