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

C14H23ClN2 — CID 19049129

IUPAC(1E)-N-(2H-pyridin-1-ylmethyl)cycloocten-1-amine;hydrochloride
SMILESC1=CCN(CN/C2=C/CCCCCC2)C=C1.Cl
InChIInChI=1S/C14H22N2.ClH/c1-2-5-9-14(10-6-3-1)15-13-16-11-7-4-8-12-16;/h4,7-9,11,15H,1-3,5-6,10,12-13H2;1H/b14-9+;
InChIKeyIMJOZVDYVGTRCM-KYIGKLDSSA-N
MW254.80 g/mol
LogP3.58
Rot. Bonds3

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

(1E)-N-(2H-pyridin-1-ylmethyl)cycloocten-1-amine;hydrochloride (PubChem CID 19049129) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is (1E)-N-(2H-pyridin-1-ylmethyl)cycloocten-1-amine;hydrochloride.

Molecular Properties

Compound Name(1E)-N-(2H-pyridin-1-ylmethyl)cycloocten-1-amine;hydrochloride
PubChem CID19049129
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC Name(1E)-N-(2H-pyridin-1-ylmethyl)cycloocten-1-amine;hydrochloride
SMILESC1=CCN(CN/C2=C/CCCCCC2)C=C1.Cl
InChIInChI=1S/C14H22N2.ClH/c1-2-5-9-14(10-6-3-1)15-13-16-11-7-4-8-12-16;/h4,7-9,11,15H,1-3,5-6,10,12-13H2;1H/b14-9+;
InChIKeyIMJOZVDYVGTRCM-KYIGKLDSSA-N
XLogP3.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1E)-N-(2H-pyridin-1-ylmethyl)cycloocten-1-amine;hydrochloride?
The IUPAC name of (1E)-N-(2H-pyridin-1-ylmethyl)cycloocten-1-amine;hydrochloride (CID 19049129) is (1E)-N-(2H-pyridin-1-ylmethyl)cycloocten-1-amine;hydrochloride.
What is the SMILES notation for (1E)-N-(2H-pyridin-1-ylmethyl)cycloocten-1-amine;hydrochloride?
The canonical SMILES for (1E)-N-(2H-pyridin-1-ylmethyl)cycloocten-1-amine;hydrochloride is C1=CCN(CN/C2=C/CCCCCC2)C=C1.Cl.
What is the InChIKey of (1E)-N-(2H-pyridin-1-ylmethyl)cycloocten-1-amine;hydrochloride?
The InChIKey is IMJOZVDYVGTRCM-KYIGKLDSSA-N. The full InChI is InChI=1S/C14H22N2.ClH/c1-2-5-9-14(10-6-3-1)15-13-16-11-7-4-8-12-16;/h4,7-9,11,15H,1-3,5-6,10,12-13H2;1H/b14-9+;.
What are the key properties of (1E)-N-(2H-pyridin-1-ylmethyl)cycloocten-1-amine;hydrochloride?
(1E)-N-(2H-pyridin-1-ylmethyl)cycloocten-1-amine;hydrochloride has a molecular weight of 254.80 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-(2H-pyridin-1-ylmethyl)cycloocten-1-amine;hydrochloride is sourced from PubChem (CID 19049129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).