(1S)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride

C8H14ClN3 — CID 171219797

IUPAC(1S)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride
SMILESCl.NCC[C@H](N)c1ccncc1
InChIInChI=1S/C8H13N3.ClH/c9-4-1-8(10)7-2-5-11-6-3-7;/h2-3,5-6,8H,1,4,9-10H2;1H/t8-;/m0./s1
InChIKeyBLHRIWGBQOTBBC-QRPNPIFTSA-N
MW187.67 g/mol
LogP0.85
Rot. Bonds3

About (1S)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride

(1S)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride (PubChem CID 171219797) has the molecular formula C8H14ClN3 and a molecular weight of 187.67 g/mol. Its IUPAC name is (1S)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride
PubChem CID171219797
Molecular FormulaC8H14ClN3
Molecular Weight187.67 g/mol
Exact Mass187.09
IUPAC Name(1S)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride
SMILESCl.NCC[C@H](N)c1ccncc1
InChIInChI=1S/C8H13N3.ClH/c9-4-1-8(10)7-2-5-11-6-3-7;/h2-3,5-6,8H,1,4,9-10H2;1H/t8-;/m0./s1
InChIKeyBLHRIWGBQOTBBC-QRPNPIFTSA-N
XLogP0.85
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride
CID 171200262
(1R)-1-pyridin-4-ylpentane-1,5-diamine;hydrochloride
CID 171200265
3-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride
CID 122156680
(1R)-4-methyl-1-pyridin-4-ylpentan-1-amine;hydrochloride
CID 171200288
(1S)-1-pyridin-4-ylpentan-1-amine;hydrochloride
CID 171219804
(1R)-1-pyridin-4-ylpent-4-en-1-amine;hydrochloride
CID 171200285
(1R)-1-pyridin-4-ylhexan-1-amine;hydrochloride
CID 171200270
(4R)-4-amino-4-pyridin-4-ylbutanoic acid;dihydrochloride
CID 171338117
(1R)-1-pyridin-4-ylhexan-1-amine
CID 94506997
(1S)-1-pyridin-4-ylpropan-1-amine
CID 26722519
1-pyridin-4-ylnonan-1-amine
CID 62600271
(1R)-1-(4-fluorophenyl)propane-1,3-diamine;hydrochloride
CID 171199114

Frequently Asked Questions

What is the IUPAC name of (1S)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride?
The IUPAC name of (1S)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride (CID 171219797) is (1S)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride.
What is the SMILES notation for (1S)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride?
The canonical SMILES for (1S)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride is Cl.NCC[C@H](N)c1ccncc1.
What is the InChIKey of (1S)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride?
The InChIKey is BLHRIWGBQOTBBC-QRPNPIFTSA-N. The full InChI is InChI=1S/C8H13N3.ClH/c9-4-1-8(10)7-2-5-11-6-3-7;/h2-3,5-6,8H,1,4,9-10H2;1H/t8-;/m0./s1.
What are the key properties of (1S)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride?
(1S)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride has a molecular weight of 187.67 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride is sourced from PubChem (CID 171219797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).