3-methyl-1-(pyridin-3-ylmethyl)cyclohexan-1-amine

C13H20N2 — CID 104735858

IUPAC3-methyl-1-(pyridin-3-ylmethyl)cyclohexan-1-amine
SMILESCC1CCCC(N)(Cc2cccnc2)C1
InChIInChI=1S/C13H20N2/c1-11-4-2-6-13(14,8-11)9-12-5-3-7-15-10-12/h3,5,7,10-11H,2,4,6,8-9,14H2,1H3
InChIKeyRIKUSDZIJZWWIA-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.53
Rot. Bonds2

About 3-methyl-1-(pyridin-3-ylmethyl)cyclohexan-1-amine

3-methyl-1-(pyridin-3-ylmethyl)cyclohexan-1-amine (PubChem CID 104735858) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 3-methyl-1-(pyridin-3-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(pyridin-3-ylmethyl)cyclohexan-1-amine
PubChem CID104735858
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name3-methyl-1-(pyridin-3-ylmethyl)cyclohexan-1-amine
SMILESCC1CCCC(N)(Cc2cccnc2)C1
InChIInChI=1S/C13H20N2/c1-11-4-2-6-13(14,8-11)9-12-5-3-7-15-10-12/h3,5,7,10-11H,2,4,6,8-9,14H2,1H3
InChIKeyRIKUSDZIJZWWIA-UHFFFAOYSA-N
XLogP2.53
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(pyridin-3-ylmethyl)cyclopentan-1-amine
CID 104735900
4-tert-butyl-1-(pyridin-3-ylmethyl)cycloheptan-1-amine
CID 104735914
1-[(5-bromo-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine
CID 104802690
1-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 162146330
1-[(4-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 60798898
[3-methyl-1-(pyridin-3-ylmethoxy)cyclohexyl]methanamine
CID 65052254
1-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 64551039
4-(pyridin-3-ylmethyl)piperidin-4-amine
CID 86277721
[3-methyl-1-(2-pyridin-3-ylethylamino)cyclohexyl]methanol
CID 63265044
2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-amine
CID 113446872
2,2-dimethyl-1-(pyridin-3-ylmethyl)cyclopentan-1-amine
CID 104735918
4-methyl-1-(pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid
CID 79425432

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(pyridin-3-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 3-methyl-1-(pyridin-3-ylmethyl)cyclohexan-1-amine (CID 104735858) is 3-methyl-1-(pyridin-3-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-1-(pyridin-3-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 3-methyl-1-(pyridin-3-ylmethyl)cyclohexan-1-amine is CC1CCCC(N)(Cc2cccnc2)C1.
What is the InChIKey of 3-methyl-1-(pyridin-3-ylmethyl)cyclohexan-1-amine?
The InChIKey is RIKUSDZIJZWWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-11-4-2-6-13(14,8-11)9-12-5-3-7-15-10-12/h3,5,7,10-11H,2,4,6,8-9,14H2,1H3.
What are the key properties of 3-methyl-1-(pyridin-3-ylmethyl)cyclohexan-1-amine?
3-methyl-1-(pyridin-3-ylmethyl)cyclohexan-1-amine has a molecular weight of 204.32 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(pyridin-3-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 104735858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).