(1R)-1-pyridin-4-ylpentane-1,5-diamine;hydrochloride

C10H18ClN3 — CID 171200265

IUPAC(1R)-1-pyridin-4-ylpentane-1,5-diamine;hydrochloride
SMILESCl.NCCCC[C@@H](N)c1ccncc1
InChIInChI=1S/C10H17N3.ClH/c11-6-2-1-3-10(12)9-4-7-13-8-5-9;/h4-5,7-8,10H,1-3,6,11-12H2;1H/t10-;/m1./s1
InChIKeyMHJZBBCDSAMIPY-HNCPQSOCSA-N
MW215.73 g/mol
LogP1.63
Rot. Bonds5

About (1R)-1-pyridin-4-ylpentane-1,5-diamine;hydrochloride

(1R)-1-pyridin-4-ylpentane-1,5-diamine;hydrochloride (PubChem CID 171200265) has the molecular formula C10H18ClN3 and a molecular weight of 215.73 g/mol. Its IUPAC name is (1R)-1-pyridin-4-ylpentane-1,5-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-pyridin-4-ylpentane-1,5-diamine;hydrochloride
PubChem CID171200265
Molecular FormulaC10H18ClN3
Molecular Weight215.73 g/mol
Exact Mass215.12
IUPAC Name(1R)-1-pyridin-4-ylpentane-1,5-diamine;hydrochloride
SMILESCl.NCCCC[C@@H](N)c1ccncc1
InChIInChI=1S/C10H17N3.ClH/c11-6-2-1-3-10(12)9-4-7-13-8-5-9;/h4-5,7-8,10H,1-3,6,11-12H2;1H/t10-;/m1./s1
InChIKeyMHJZBBCDSAMIPY-HNCPQSOCSA-N
XLogP1.63
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.73
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride
CID 171200262
(1S)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride
CID 171219797
(1R)-1-pyridin-4-ylhexan-1-amine;hydrochloride
CID 171200270
(1S)-1-pyridin-4-ylpentan-1-amine;hydrochloride
CID 171219804
(1R)-1-pyridin-4-ylhexan-1-amine
CID 94506997
1-pyridin-4-ylnonan-1-amine
CID 62600271
(1S)-1-pyridin-3-ylpentane-1,5-diamine;hydrochloride
CID 171221036
(1S)-1-(2-bromo-4-pyridinyl)pentane-1,5-diamine;hydrochloride
CID 171222997
3-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride
CID 122156680
5-phenyl-5-pyridin-4-ylpentan-1-amine
CID 117068143
(1R)-4-methyl-1-pyridin-4-ylpentan-1-amine;hydrochloride
CID 171200288
4-methoxy-1-pyridin-4-ylbutan-1-amine
CID 115601661

Frequently Asked Questions

What is the IUPAC name of (1R)-1-pyridin-4-ylpentane-1,5-diamine;hydrochloride?
The IUPAC name of (1R)-1-pyridin-4-ylpentane-1,5-diamine;hydrochloride (CID 171200265) is (1R)-1-pyridin-4-ylpentane-1,5-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-pyridin-4-ylpentane-1,5-diamine;hydrochloride?
The canonical SMILES for (1R)-1-pyridin-4-ylpentane-1,5-diamine;hydrochloride is Cl.NCCCC[C@@H](N)c1ccncc1.
What is the InChIKey of (1R)-1-pyridin-4-ylpentane-1,5-diamine;hydrochloride?
The InChIKey is MHJZBBCDSAMIPY-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H17N3.ClH/c11-6-2-1-3-10(12)9-4-7-13-8-5-9;/h4-5,7-8,10H,1-3,6,11-12H2;1H/t10-;/m1./s1.
What are the key properties of (1R)-1-pyridin-4-ylpentane-1,5-diamine;hydrochloride?
(1R)-1-pyridin-4-ylpentane-1,5-diamine;hydrochloride has a molecular weight of 215.73 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-pyridin-4-ylpentane-1,5-diamine;hydrochloride is sourced from PubChem (CID 171200265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).