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

C10H15ClN2 — CID 171200285

IUPAC(1R)-1-pyridin-4-ylpent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@@H](N)c1ccncc1.Cl
InChIInChI=1S/C10H14N2.ClH/c1-2-3-4-10(11)9-5-7-12-8-6-9;/h2,5-8,10H,1,3-4,11H2;1H/t10-;/m1./s1
InChIKeyNVHZRIZVVBZLCX-HNCPQSOCSA-N
MW198.70 g/mol
LogP2.47
Rot. Bonds4

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

(1R)-1-pyridin-4-ylpent-4-en-1-amine;hydrochloride (PubChem CID 171200285) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is (1R)-1-pyridin-4-ylpent-4-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-pyridin-4-ylpent-4-en-1-amine;hydrochloride
PubChem CID171200285
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name(1R)-1-pyridin-4-ylpent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@@H](N)c1ccncc1.Cl
InChIInChI=1S/C10H14N2.ClH/c1-2-3-4-10(11)9-5-7-12-8-6-9;/h2,5-8,10H,1,3-4,11H2;1H/t10-;/m1./s1
InChIKeyNVHZRIZVVBZLCX-HNCPQSOCSA-N
XLogP2.47
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine;hydrochloride
CID 171199075
4-[(1S)-1-aminopent-4-enyl]phenol
CID 171217735
1-pyridin-4-ylpent-4-enylhydrazine
CID 105196473
3-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride
CID 122156680
(1R)-4-methyl-1-pyridin-4-ylpentan-1-amine;hydrochloride
CID 171200288
(1R)-1-(4-ethylphenyl)pent-4-en-1-amine
CID 171211235
(1S)-1-(4-tert-butylphenyl)pent-4-en-1-amine
CID 171221408
(1S)-1-pyridin-4-ylpentan-1-amine;hydrochloride
CID 171219804
(1R)-1-pyridin-4-ylpentane-1,5-diamine;hydrochloride
CID 171200265
(1R)-1-pyridin-4-ylhexan-1-amine;hydrochloride
CID 171200270

Frequently Asked Questions

What is the IUPAC name of (1R)-1-pyridin-4-ylpent-4-en-1-amine;hydrochloride?
The IUPAC name of (1R)-1-pyridin-4-ylpent-4-en-1-amine;hydrochloride (CID 171200285) is (1R)-1-pyridin-4-ylpent-4-en-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-pyridin-4-ylpent-4-en-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-pyridin-4-ylpent-4-en-1-amine;hydrochloride is C=CCC[C@@H](N)c1ccncc1.Cl.
What is the InChIKey of (1R)-1-pyridin-4-ylpent-4-en-1-amine;hydrochloride?
The InChIKey is NVHZRIZVVBZLCX-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H14N2.ClH/c1-2-3-4-10(11)9-5-7-12-8-6-9;/h2,5-8,10H,1,3-4,11H2;1H/t10-;/m1./s1.
What are the key properties of (1R)-1-pyridin-4-ylpent-4-en-1-amine;hydrochloride?
(1R)-1-pyridin-4-ylpent-4-en-1-amine;hydrochloride has a molecular weight of 198.70 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-pyridin-4-ylpent-4-en-1-amine;hydrochloride is sourced from PubChem (CID 171200285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).