1-[amino-(6-methyl-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine

C16H27N3 — CID 79074764

IUPAC1-[amino-(6-methyl-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCc1ccc(C(N)C2(N(C)C)CCCC(C)C2)cn1
InChIInChI=1S/C16H27N3/c1-12-6-5-9-16(10-12,19(3)4)15(17)14-8-7-13(2)18-11-14/h7-8,11-12,15H,5-6,9-10,17H2,1-4H3
InChIKeyWVGMNGTYLHIMSK-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.90
Rot. Bonds3

About 1-[amino-(6-methyl-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine

1-[amino-(6-methyl-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 79074764) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[amino-(6-methyl-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[amino-(6-methyl-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID79074764
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-[amino-(6-methyl-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCc1ccc(C(N)C2(N(C)C)CCCC(C)C2)cn1
InChIInChI=1S/C16H27N3/c1-12-6-5-9-16(10-12,19(3)4)15(17)14-8-7-13(2)18-11-14/h7-8,11-12,15H,5-6,9-10,17H2,1-4H3
InChIKeyWVGMNGTYLHIMSK-UHFFFAOYSA-N
XLogP2.90
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[amino(pyrimidin-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074760
1-[amino-(4-ethylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79075065
1-[amino-(2-methylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074317
1-[amino-(6-methyl-3-pyridinyl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79070030
1-[amino-(4-fluoro-2-methylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074616
1-[amino(thiophen-2-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074325
1-[amino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074466
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
1-[amino-(3-methylcyclohexyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79075132
1-[amino-(4-bromothiophen-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79602152

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(6-methyl-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[amino-(6-methyl-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine (CID 79074764) is 1-[amino-(6-methyl-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[amino-(6-methyl-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[amino-(6-methyl-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine is Cc1ccc(C(N)C2(N(C)C)CCCC(C)C2)cn1.
What is the InChIKey of 1-[amino-(6-methyl-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is WVGMNGTYLHIMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12-6-5-9-16(10-12,19(3)4)15(17)14-8-7-13(2)18-11-14/h7-8,11-12,15H,5-6,9-10,17H2,1-4H3.
What are the key properties of 1-[amino-(6-methyl-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[amino-(6-methyl-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(6-methyl-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 79074764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).