3-(pyridin-3-ylmethyl)cycloheptan-1-amine

C13H20N2 — CID 104736993

IUPAC3-(pyridin-3-ylmethyl)cycloheptan-1-amine
SMILESNC1CCCCC(Cc2cccnc2)C1
InChIInChI=1S/C13H20N2/c14-13-6-2-1-4-11(9-13)8-12-5-3-7-15-10-12/h3,5,7,10-11,13H,1-2,4,6,8-9,14H2
InChIKeyLDGUYYKUUJGSIN-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.53
Rot. Bonds2

About 3-(pyridin-3-ylmethyl)cycloheptan-1-amine

3-(pyridin-3-ylmethyl)cycloheptan-1-amine (PubChem CID 104736993) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 3-(pyridin-3-ylmethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name3-(pyridin-3-ylmethyl)cycloheptan-1-amine
PubChem CID104736993
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name3-(pyridin-3-ylmethyl)cycloheptan-1-amine
SMILESNC1CCCCC(Cc2cccnc2)C1
InChIInChI=1S/C13H20N2/c14-13-6-2-1-4-11(9-13)8-12-5-3-7-15-10-12/h3,5,7,10-11,13H,1-2,4,6,8-9,14H2
InChIKeyLDGUYYKUUJGSIN-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

N-propyl-3-(pyridin-3-ylmethyl)cycloheptan-1-amine
CID 104737007
3-(2-cyclobutylethyl)pyridine
CID 57204476
3-[(3-methylphenyl)methyl]cycloheptan-1-amine
CID 64504844
1-cyclopentyl-4-pyridin-3-ylbutan-2-amine
CID 105139079
3-(oxan-4-ylmethyl)pyridine;hydrochloride
CID 175648027
N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine
CID 61344810
4-[(3-aminocycloheptyl)methyl]pyridin-2-amine
CID 64505796
1-cyclopentyl-2-pyridin-3-ylethanamine
CID 62553066
9-(2-pyridin-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712043
(1-cyclohexyl-4-pyridin-3-ylbutan-2-yl)hydrazine
CID 105296236
3-(pyridin-3-ylmethyl)cyclohept-2-en-1-amine
CID 107383055
9-(pyridin-3-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712920

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-3-ylmethyl)cycloheptan-1-amine?
The IUPAC name of 3-(pyridin-3-ylmethyl)cycloheptan-1-amine (CID 104736993) is 3-(pyridin-3-ylmethyl)cycloheptan-1-amine.
What is the SMILES notation for 3-(pyridin-3-ylmethyl)cycloheptan-1-amine?
The canonical SMILES for 3-(pyridin-3-ylmethyl)cycloheptan-1-amine is NC1CCCCC(Cc2cccnc2)C1.
What is the InChIKey of 3-(pyridin-3-ylmethyl)cycloheptan-1-amine?
The InChIKey is LDGUYYKUUJGSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c14-13-6-2-1-4-11(9-13)8-12-5-3-7-15-10-12/h3,5,7,10-11,13H,1-2,4,6,8-9,14H2.
What are the key properties of 3-(pyridin-3-ylmethyl)cycloheptan-1-amine?
3-(pyridin-3-ylmethyl)cycloheptan-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-(pyridin-3-ylmethyl)cycloheptan-1-amine is sourced from PubChem (CID 104736993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).