(1S)-1-naphthalen-2-ylpentane-1,5-diamine;hydrochloride

C15H21ClN2 — CID 171220846

IUPAC(1S)-1-naphthalen-2-ylpentane-1,5-diamine;hydrochloride
SMILESCl.NCCCC[C@H](N)c1ccc2ccccc2c1
InChIInChI=1S/C15H20N2.ClH/c16-10-4-3-7-15(17)14-9-8-12-5-1-2-6-13(12)11-14;/h1-2,5-6,8-9,11,15H,3-4,7,10,16-17H2;1H/t15-;/m0./s1
InChIKeyUBMNJUSAYXRVIB-RSAXXLAASA-N
MW264.80 g/mol
LogP3.39
Rot. Bonds5

About (1S)-1-naphthalen-2-ylpentane-1,5-diamine;hydrochloride

(1S)-1-naphthalen-2-ylpentane-1,5-diamine;hydrochloride (PubChem CID 171220846) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is (1S)-1-naphthalen-2-ylpentane-1,5-diamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-naphthalen-2-ylpentane-1,5-diamine;hydrochloride
PubChem CID171220846
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC Name(1S)-1-naphthalen-2-ylpentane-1,5-diamine;hydrochloride
SMILESCl.NCCCC[C@H](N)c1ccc2ccccc2c1
InChIInChI=1S/C15H20N2.ClH/c16-10-4-3-7-15(17)14-9-8-12-5-1-2-6-13(12)11-14;/h1-2,5-6,8-9,11,15H,3-4,7,10,16-17H2;1H/t15-;/m0./s1
InChIKeyUBMNJUSAYXRVIB-RSAXXLAASA-N
XLogP3.39
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-naphthalen-2-ylpentan-1-amine
CID 171201313
(3S)-3-amino-3-naphthalen-2-ylpropan-1-ol;hydrochloride
CID 171220879
(1S)-1-naphthalen-2-ylbutan-1-amine
CID 55254735
1-naphthalen-2-yl-4-phenylbutan-1-amine
CID 63416758
(1R)-1-(3,4-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171210029
(1R)-1-(4-phenylphenyl)pentane-1,5-diamine
CID 171208421
(1R)-1-(1H-indol-5-yl)pentane-1,5-diamine;hydrochloride
CID 171205545
(1R)-1-(3,4-dimethylphenyl)pentane-1,5-diamine;hydrochloride
CID 171200476
(1R)-3-methyl-1-naphthalen-2-ylbutan-1-amine;hydrochloride
CID 171201317
3-ethoxy-1-naphthalen-2-ylpropan-1-amine
CID 112688301
(1R)-1-(3-iodophenyl)pentane-1,5-diamine;hydrochloride
CID 171210552
(1R)-1-anthracen-9-ylpentane-1,5-diamine;hydrochloride
CID 171197562

Frequently Asked Questions

What is the IUPAC name of (1S)-1-naphthalen-2-ylpentane-1,5-diamine;hydrochloride?
The IUPAC name of (1S)-1-naphthalen-2-ylpentane-1,5-diamine;hydrochloride (CID 171220846) is (1S)-1-naphthalen-2-ylpentane-1,5-diamine;hydrochloride.
What is the SMILES notation for (1S)-1-naphthalen-2-ylpentane-1,5-diamine;hydrochloride?
The canonical SMILES for (1S)-1-naphthalen-2-ylpentane-1,5-diamine;hydrochloride is Cl.NCCCC[C@H](N)c1ccc2ccccc2c1.
What is the InChIKey of (1S)-1-naphthalen-2-ylpentane-1,5-diamine;hydrochloride?
The InChIKey is UBMNJUSAYXRVIB-RSAXXLAASA-N. The full InChI is InChI=1S/C15H20N2.ClH/c16-10-4-3-7-15(17)14-9-8-12-5-1-2-6-13(12)11-14;/h1-2,5-6,8-9,11,15H,3-4,7,10,16-17H2;1H/t15-;/m0./s1.
What are the key properties of (1S)-1-naphthalen-2-ylpentane-1,5-diamine;hydrochloride?
(1S)-1-naphthalen-2-ylpentane-1,5-diamine;hydrochloride has a molecular weight of 264.80 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-naphthalen-2-ylpentane-1,5-diamine;hydrochloride is sourced from PubChem (CID 171220846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).