(1S)-1-pyridin-4-ylpentan-1-amine;hydrochloride

C10H17ClN2 — CID 171219804

IUPAC(1S)-1-pyridin-4-ylpentan-1-amine;hydrochloride
SMILESCCCC[C@H](N)c1ccncc1.Cl
InChIInChI=1S/C10H16N2.ClH/c1-2-3-4-10(11)9-5-7-12-8-6-9;/h5-8,10H,2-4,11H2,1H3;1H/t10-;/m0./s1
InChIKeyYCKYVRIQVLOUHA-PPHPATTJSA-N
MW200.71 g/mol
LogP2.69
Rot. Bonds4

About (1S)-1-pyridin-4-ylpentan-1-amine;hydrochloride

(1S)-1-pyridin-4-ylpentan-1-amine;hydrochloride (PubChem CID 171219804) has the molecular formula C10H17ClN2 and a molecular weight of 200.71 g/mol. Its IUPAC name is (1S)-1-pyridin-4-ylpentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-pyridin-4-ylpentan-1-amine;hydrochloride
PubChem CID171219804
Molecular FormulaC10H17ClN2
Molecular Weight200.71 g/mol
Exact Mass200.11
IUPAC Name(1S)-1-pyridin-4-ylpentan-1-amine;hydrochloride
SMILESCCCC[C@H](N)c1ccncc1.Cl
InChIInChI=1S/C10H16N2.ClH/c1-2-3-4-10(11)9-5-7-12-8-6-9;/h5-8,10H,2-4,11H2,1H3;1H/t10-;/m0./s1
InChIKeyYCKYVRIQVLOUHA-PPHPATTJSA-N
XLogP2.69
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.71
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-pyridin-4-ylhexan-1-amine;hydrochloride
CID 171200270
(1R)-1-pyridin-4-ylhexan-1-amine
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(1R)-1-pyridin-4-ylpentane-1,5-diamine;hydrochloride
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(1R)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride
CID 171200262
(1S)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride
CID 171219797
(1R)-4-methyl-1-pyridin-4-ylpentan-1-amine;hydrochloride
CID 171200288
4-methoxy-1-pyridin-4-ylbutan-1-amine
CID 115601661
4-[(5S,6S)-6-pyridin-4-yldecan-5-yl]pyridine
CID 125129263
(1S)-1-pyridin-4-ylpropan-1-amine
CID 26722519
1-(4-fluorophenyl)pentan-1-amine;hydrochloride
CID 86262916
3-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride
CID 122156680

Frequently Asked Questions

What is the IUPAC name of (1S)-1-pyridin-4-ylpentan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-pyridin-4-ylpentan-1-amine;hydrochloride (CID 171219804) is (1S)-1-pyridin-4-ylpentan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-pyridin-4-ylpentan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-pyridin-4-ylpentan-1-amine;hydrochloride is CCCC[C@H](N)c1ccncc1.Cl.
What is the InChIKey of (1S)-1-pyridin-4-ylpentan-1-amine;hydrochloride?
The InChIKey is YCKYVRIQVLOUHA-PPHPATTJSA-N. The full InChI is InChI=1S/C10H16N2.ClH/c1-2-3-4-10(11)9-5-7-12-8-6-9;/h5-8,10H,2-4,11H2,1H3;1H/t10-;/m0./s1.
What are the key properties of (1S)-1-pyridin-4-ylpentan-1-amine;hydrochloride?
(1S)-1-pyridin-4-ylpentan-1-amine;hydrochloride has a molecular weight of 200.71 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-pyridin-4-ylpentan-1-amine;hydrochloride is sourced from PubChem (CID 171219804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).