(1R)-1-naphthalen-1-ylpent-4-en-1-amine;hydrochloride

C15H18ClN — CID 171212052

IUPAC(1R)-1-naphthalen-1-ylpent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@@H](N)c1cccc2ccccc12.Cl
InChIInChI=1S/C15H17N.ClH/c1-2-3-11-15(16)14-10-6-8-12-7-4-5-9-13(12)14;/h2,4-10,15H,1,3,11,16H2;1H/t15-;/m1./s1
InChIKeyHSUQWMJQPSTKMO-XFULWGLBSA-N
MW247.77 g/mol
LogP4.23
Rot. Bonds4

About (1R)-1-naphthalen-1-ylpent-4-en-1-amine;hydrochloride

(1R)-1-naphthalen-1-ylpent-4-en-1-amine;hydrochloride (PubChem CID 171212052) has the molecular formula C15H18ClN and a molecular weight of 247.77 g/mol. Its IUPAC name is (1R)-1-naphthalen-1-ylpent-4-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-naphthalen-1-ylpent-4-en-1-amine;hydrochloride
PubChem CID171212052
Molecular FormulaC15H18ClN
Molecular Weight247.77 g/mol
Exact Mass247.11
IUPAC Name(1R)-1-naphthalen-1-ylpent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@@H](N)c1cccc2ccccc12.Cl
InChIInChI=1S/C15H17N.ClH/c1-2-3-11-15(16)14-10-6-8-12-7-4-5-9-13(12)14;/h2,4-10,15H,1,3,11,16H2;1H/t15-;/m1./s1
InChIKeyHSUQWMJQPSTKMO-XFULWGLBSA-N
XLogP4.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 54.23
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

4-[(1R)-1-aminopent-4-enyl]naphthalen-1-ol;hydrochloride
CID 171208914
1-quinolin-5-ylpent-4-en-1-amine
CID 105153398
(1R)-1-(2-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171209860
1-(2-iodophenyl)pent-4-en-1-amine
CID 104987635
(1S)-1-(1-benzothiophen-3-yl)pent-4-en-1-amine;hydrochloride
CID 171224605
1-(2-methoxyphenyl)pent-4-en-1-amine
CID 15884723
1-(2-ethylphenyl)pent-4-en-1-amine
CID 104987661
2-[(1R)-1-aminopent-4-enyl]-6-fluorophenol;hydrochloride
CID 171198936
(1R)-1-(3-chloro-2-fluorophenyl)pent-4-en-1-amine;hydrochloride
CID 171209326
(1S)-1-(1-methylindol-3-yl)pent-4-en-1-amine
CID 171226482
N'-(3-amino-3-naphthalen-1-ylpropyl)-N'-methyl-1-naphthalen-1-ylpropane-1,3-diamine
CID 57188438
(3-amino-3-naphthalen-1-ylpropyl)-trimethylazanium
CID 88609613

Frequently Asked Questions

What is the IUPAC name of (1R)-1-naphthalen-1-ylpent-4-en-1-amine;hydrochloride?
The IUPAC name of (1R)-1-naphthalen-1-ylpent-4-en-1-amine;hydrochloride (CID 171212052) is (1R)-1-naphthalen-1-ylpent-4-en-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-naphthalen-1-ylpent-4-en-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-naphthalen-1-ylpent-4-en-1-amine;hydrochloride is C=CCC[C@@H](N)c1cccc2ccccc12.Cl.
What is the InChIKey of (1R)-1-naphthalen-1-ylpent-4-en-1-amine;hydrochloride?
The InChIKey is HSUQWMJQPSTKMO-XFULWGLBSA-N. The full InChI is InChI=1S/C15H17N.ClH/c1-2-3-11-15(16)14-10-6-8-12-7-4-5-9-13(12)14;/h2,4-10,15H,1,3,11,16H2;1H/t15-;/m1./s1.
What are the key properties of (1R)-1-naphthalen-1-ylpent-4-en-1-amine;hydrochloride?
(1R)-1-naphthalen-1-ylpent-4-en-1-amine;hydrochloride has a molecular weight of 247.77 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-naphthalen-1-ylpent-4-en-1-amine;hydrochloride is sourced from PubChem (CID 171212052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).