N,N-dimethyl-1-(2-pyridin-4-ylcyclohepten-1-yl)methanamine;hydrochloride

C15H23ClN2 — CID 69223601

IUPACN,N-dimethyl-1-(2-pyridin-4-ylcyclohepten-1-yl)methanamine;hydrochloride
SMILESCN(C)CC1=C(c2ccncc2)CCCCC1.Cl
InChIInChI=1S/C15H22N2.ClH/c1-17(2)12-14-6-4-3-5-7-15(14)13-8-10-16-11-9-13;/h8-11H,3-7,12H2,1-2H3;1H
InChIKeyYHMVVKKPBBOCRX-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.78
Rot. Bonds3

About N,N-dimethyl-1-(2-pyridin-4-ylcyclohepten-1-yl)methanamine;hydrochloride

N,N-dimethyl-1-(2-pyridin-4-ylcyclohepten-1-yl)methanamine;hydrochloride (PubChem CID 69223601) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-pyridin-4-ylcyclohepten-1-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-pyridin-4-ylcyclohepten-1-yl)methanamine;hydrochloride
PubChem CID69223601
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC NameN,N-dimethyl-1-(2-pyridin-4-ylcyclohepten-1-yl)methanamine;hydrochloride
SMILESCN(C)CC1=C(c2ccncc2)CCCCC1.Cl
InChIInChI=1S/C15H22N2.ClH/c1-17(2)12-14-6-4-3-5-7-15(14)13-8-10-16-11-9-13;/h8-11H,3-7,12H2,1-2H3;1H
InChIKeyYHMVVKKPBBOCRX-UHFFFAOYSA-N
XLogP3.78
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-pyridin-4-ylcyclohepten-1-yl)methanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-1-(2-pyridin-4-ylcyclohepten-1-yl)methanamine;hydrochloride (CID 69223601) is N,N-dimethyl-1-(2-pyridin-4-ylcyclohepten-1-yl)methanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-1-(2-pyridin-4-ylcyclohepten-1-yl)methanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-1-(2-pyridin-4-ylcyclohepten-1-yl)methanamine;hydrochloride is CN(C)CC1=C(c2ccncc2)CCCCC1.Cl.
What is the InChIKey of N,N-dimethyl-1-(2-pyridin-4-ylcyclohepten-1-yl)methanamine;hydrochloride?
The InChIKey is YHMVVKKPBBOCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2.ClH/c1-17(2)12-14-6-4-3-5-7-15(14)13-8-10-16-11-9-13;/h8-11H,3-7,12H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-1-(2-pyridin-4-ylcyclohepten-1-yl)methanamine;hydrochloride?
N,N-dimethyl-1-(2-pyridin-4-ylcyclohepten-1-yl)methanamine;hydrochloride has a molecular weight of 266.82 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-pyridin-4-ylcyclohepten-1-yl)methanamine;hydrochloride is sourced from PubChem (CID 69223601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).