N-(1-prop-2-enylcyclohexyl)naphthalen-2-amine;hydrochloride

C19H24ClN — CID 175653158

IUPACN-(1-prop-2-enylcyclohexyl)naphthalen-2-amine;hydrochloride
SMILESC=CCC1(Nc2ccc3ccccc3c2)CCCCC1.Cl
InChIInChI=1S/C19H23N.ClH/c1-2-12-19(13-6-3-7-14-19)20-18-11-10-16-8-4-5-9-17(16)15-18;/h2,4-5,8-11,15,20H,1,3,6-7,12-14H2;1H
InChIKeyKKVUIDGMDQMOCM-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.95
Rot. Bonds4

About N-(1-prop-2-enylcyclohexyl)naphthalen-2-amine;hydrochloride

N-(1-prop-2-enylcyclohexyl)naphthalen-2-amine;hydrochloride (PubChem CID 175653158) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is N-(1-prop-2-enylcyclohexyl)naphthalen-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(1-prop-2-enylcyclohexyl)naphthalen-2-amine;hydrochloride
PubChem CID175653158
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC NameN-(1-prop-2-enylcyclohexyl)naphthalen-2-amine;hydrochloride
SMILESC=CCC1(Nc2ccc3ccccc3c2)CCCCC1.Cl
InChIInChI=1S/C19H23N.ClH/c1-2-12-19(13-6-3-7-14-19)20-18-11-10-16-8-4-5-9-17(16)15-18;/h2,4-5,8-11,15,20H,1,3,6-7,12-14H2;1H
InChIKeyKKVUIDGMDQMOCM-UHFFFAOYSA-N
XLogP5.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-prop-2-enylcyclohexyl)aniline
CID 599883
N-(2-phenylethyl)-1-prop-2-enylcyclooctan-1-amine
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2-naphthalen-2-yl-2-prop-2-enylcyclohexan-1-one
CID 86212741
N-[(1R)-1-phenylethyl]-1-prop-2-enylcyclooctan-1-amine
CID 1388970
N-(1-phenylethyl)-1-prop-2-enylcyclooctan-1-amine
CID 3844507
N-[1-[(1-anilinocyclohexyl)methyl]cyclohexyl]aniline
CID 67403837
[1-(quinolin-2-ylamino)cyclohexyl]methanol
CID 62521521
[1-(3-chloroanilino)cyclohexyl]methanol
CID 61050342
N-(2-prop-2-enylphenyl)naphthalen-2-amine
CID 66931436
[1-(3-chloroanilino)cyclooctyl]methanol
CID 63428436
[1-[4-amino-3-(trifluoromethyl)anilino]cyclohexyl]methanol
CID 62552640
1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine
CID 7142

Frequently Asked Questions

What is the IUPAC name of N-(1-prop-2-enylcyclohexyl)naphthalen-2-amine;hydrochloride?
The IUPAC name of N-(1-prop-2-enylcyclohexyl)naphthalen-2-amine;hydrochloride (CID 175653158) is N-(1-prop-2-enylcyclohexyl)naphthalen-2-amine;hydrochloride.
What is the SMILES notation for N-(1-prop-2-enylcyclohexyl)naphthalen-2-amine;hydrochloride?
The canonical SMILES for N-(1-prop-2-enylcyclohexyl)naphthalen-2-amine;hydrochloride is C=CCC1(Nc2ccc3ccccc3c2)CCCCC1.Cl.
What is the InChIKey of N-(1-prop-2-enylcyclohexyl)naphthalen-2-amine;hydrochloride?
The InChIKey is KKVUIDGMDQMOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N.ClH/c1-2-12-19(13-6-3-7-14-19)20-18-11-10-16-8-4-5-9-17(16)15-18;/h2,4-5,8-11,15,20H,1,3,6-7,12-14H2;1H.
What are the key properties of N-(1-prop-2-enylcyclohexyl)naphthalen-2-amine;hydrochloride?
N-(1-prop-2-enylcyclohexyl)naphthalen-2-amine;hydrochloride has a molecular weight of 301.86 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-prop-2-enylcyclohexyl)naphthalen-2-amine;hydrochloride is sourced from PubChem (CID 175653158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).