N-(2H-pyridin-1-ylmethyl)cyclohepten-1-amine;hydrochloride

C13H21ClN2 — CID 19049038

IUPACN-(2H-pyridin-1-ylmethyl)cyclohepten-1-amine;hydrochloride
SMILESC1=CCN(CNC2=CCCCCC2)C=C1.Cl
InChIInChI=1S/C13H20N2.ClH/c1-2-5-9-13(8-4-1)14-12-15-10-6-3-7-11-15;/h3,6-8,10,14H,1-2,4-5,9,11-12H2;1H
InChIKeyUCOCJDDSCUMCLM-UHFFFAOYSA-N
MW240.78 g/mol
LogP3.19
Rot. Bonds3

About N-(2H-pyridin-1-ylmethyl)cyclohepten-1-amine;hydrochloride

N-(2H-pyridin-1-ylmethyl)cyclohepten-1-amine;hydrochloride (PubChem CID 19049038) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is N-(2H-pyridin-1-ylmethyl)cyclohepten-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(2H-pyridin-1-ylmethyl)cyclohepten-1-amine;hydrochloride
PubChem CID19049038
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC NameN-(2H-pyridin-1-ylmethyl)cyclohepten-1-amine;hydrochloride
SMILESC1=CCN(CNC2=CCCCCC2)C=C1.Cl
InChIInChI=1S/C13H20N2.ClH/c1-2-5-9-13(8-4-1)14-12-15-10-6-3-7-11-15;/h3,6-8,10,14H,1-2,4-5,9,11-12H2;1H
InChIKeyUCOCJDDSCUMCLM-UHFFFAOYSA-N
XLogP3.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2H-pyridin-1-ylmethyl)cyclohepten-1-amine;hydrochloride?
The IUPAC name of N-(2H-pyridin-1-ylmethyl)cyclohepten-1-amine;hydrochloride (CID 19049038) is N-(2H-pyridin-1-ylmethyl)cyclohepten-1-amine;hydrochloride.
What is the SMILES notation for N-(2H-pyridin-1-ylmethyl)cyclohepten-1-amine;hydrochloride?
The canonical SMILES for N-(2H-pyridin-1-ylmethyl)cyclohepten-1-amine;hydrochloride is C1=CCN(CNC2=CCCCCC2)C=C1.Cl.
What is the InChIKey of N-(2H-pyridin-1-ylmethyl)cyclohepten-1-amine;hydrochloride?
The InChIKey is UCOCJDDSCUMCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.ClH/c1-2-5-9-13(8-4-1)14-12-15-10-6-3-7-11-15;/h3,6-8,10,14H,1-2,4-5,9,11-12H2;1H.
What are the key properties of N-(2H-pyridin-1-ylmethyl)cyclohepten-1-amine;hydrochloride?
N-(2H-pyridin-1-ylmethyl)cyclohepten-1-amine;hydrochloride has a molecular weight of 240.78 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-pyridin-1-ylmethyl)cyclohepten-1-amine;hydrochloride is sourced from PubChem (CID 19049038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).