3-(pyridin-3-ylmethyl)cyclohept-2-en-1-amine

C13H18N2 — CID 107383055

IUPAC3-(pyridin-3-ylmethyl)cyclohept-2-en-1-amine
SMILESNC1C=C(Cc2cccnc2)CCCC1
InChIInChI=1S/C13H18N2/c14-13-6-2-1-4-11(9-13)8-12-5-3-7-15-10-12/h3,5,7,9-10,13H,1-2,4,6,8,14H2
InChIKeyVEMOBXPPLSRNJE-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.45
Rot. Bonds2

About 3-(pyridin-3-ylmethyl)cyclohept-2-en-1-amine

3-(pyridin-3-ylmethyl)cyclohept-2-en-1-amine (PubChem CID 107383055) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-(pyridin-3-ylmethyl)cyclohept-2-en-1-amine.

Molecular Properties

Compound Name3-(pyridin-3-ylmethyl)cyclohept-2-en-1-amine
PubChem CID107383055
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name3-(pyridin-3-ylmethyl)cyclohept-2-en-1-amine
SMILESNC1C=C(Cc2cccnc2)CCCC1
InChIInChI=1S/C13H18N2/c14-13-6-2-1-4-11(9-13)8-12-5-3-7-15-10-12/h3,5,7,9-10,13H,1-2,4,6,8,14H2
InChIKeyVEMOBXPPLSRNJE-UHFFFAOYSA-N
XLogP2.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(3-aminocyclohepten-1-yl)methyl]pyridin-2-amine
CID 107383124
3-[(4-tert-butylphenyl)methyl]cyclohex-2-en-1-amine
CID 65171747
3-(pyridin-3-ylmethyl)cycloheptan-1-amine
CID 104736993
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
1-cyclopentyl-2-pyridin-3-ylethanamine
CID 62553066
3-[[3-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-amine
CID 65171795
4-cycloheptyl-6-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
CID 63868638
3-(3-phenoxypropyl)cyclohept-2-en-1-amine
CID 107383088
9-(pyridin-3-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712920
3-[2,2-di(cyclobutyl)ethyl]pyridine
CID 57256962
2-(pyridin-3-ylmethyl)-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one
CID 107384555
6-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681587

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-3-ylmethyl)cyclohept-2-en-1-amine?
The IUPAC name of 3-(pyridin-3-ylmethyl)cyclohept-2-en-1-amine (CID 107383055) is 3-(pyridin-3-ylmethyl)cyclohept-2-en-1-amine.
What is the SMILES notation for 3-(pyridin-3-ylmethyl)cyclohept-2-en-1-amine?
The canonical SMILES for 3-(pyridin-3-ylmethyl)cyclohept-2-en-1-amine is NC1C=C(Cc2cccnc2)CCCC1.
What is the InChIKey of 3-(pyridin-3-ylmethyl)cyclohept-2-en-1-amine?
The InChIKey is VEMOBXPPLSRNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c14-13-6-2-1-4-11(9-13)8-12-5-3-7-15-10-12/h3,5,7,9-10,13H,1-2,4,6,8,14H2.
What are the key properties of 3-(pyridin-3-ylmethyl)cyclohept-2-en-1-amine?
3-(pyridin-3-ylmethyl)cyclohept-2-en-1-amine has a molecular weight of 202.30 g/mol, XLogP of 2.45, 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)cyclohept-2-en-1-amine is sourced from PubChem (CID 107383055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).