N'-[(5-chloro-3-pyridinyl)methyl]propane-1,3-diamine

C9H14ClN3 — CID 21271630

IUPACN'-[(5-chloro-3-pyridinyl)methyl]propane-1,3-diamine
SMILESNCCCNCc1cncc(Cl)c1
InChIInChI=1S/C9H14ClN3/c10-9-4-8(6-13-7-9)5-12-3-1-2-11/h4,6-7,12H,1-3,5,11H2
InChIKeyJWVQIALZCFZMGA-UHFFFAOYSA-N
MW199.69 g/mol
LogP1.17
Rot. Bonds5

About N'-[(5-chloro-3-pyridinyl)methyl]propane-1,3-diamine

N'-[(5-chloro-3-pyridinyl)methyl]propane-1,3-diamine (PubChem CID 21271630) has the molecular formula C9H14ClN3 and a molecular weight of 199.69 g/mol. Its IUPAC name is N'-[(5-chloro-3-pyridinyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(5-chloro-3-pyridinyl)methyl]propane-1,3-diamine
PubChem CID21271630
Molecular FormulaC9H14ClN3
Molecular Weight199.69 g/mol
Exact Mass199.09
IUPAC NameN'-[(5-chloro-3-pyridinyl)methyl]propane-1,3-diamine
SMILESNCCCNCc1cncc(Cl)c1
InChIInChI=1S/C9H14ClN3/c10-9-4-8(6-13-7-9)5-12-3-1-2-11/h4,6-7,12H,1-3,5,11H2
InChIKeyJWVQIALZCFZMGA-UHFFFAOYSA-N
XLogP1.17
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.69
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[(5-chloro-3-pyridinyl)methyl]propane-1,3-diamine 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

N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
CID 21271666
N'-[(3,4-dichlorophenyl)methyl]propane-1,3-diamine
CID 18353717
N'-[(2-chloro-4-pyridinyl)methyl]propane-1,3-diamine
CID 21271634
N'-[[4-[(3-aminopropylamino)methyl]phenyl]methyl]propane-1,3-diamine
CID 10106170
N'-[(6-chloro-3-pyridinyl)methyl]propane-1,3-diamine;hydrochloride
CID 86584506
N'-(pyridin-4-ylmethyl)hexane-1,6-diamine
CID 83959522
N'-[(3-bromo-5-chlorophenyl)methyl]ethane-1,2-diamine
CID 107938708
N'-[[4-(5-aminopentyl)phenyl]methyl]propane-1,3-diamine
CID 58260406
N'-(3,5-dichloro-2-pyridinyl)propane-1,3-diamine
CID 14397361
N,N'-bis[(4-chlorophenyl)methyl]butane-1,4-diamine
CID 131985015
N-[(5-bromo-3-pyridinyl)methyl]-3-iodopropan-1-amine
CID 114503620
N'-(1,3-thiazol-5-ylmethyl)propane-1,3-diamine
CID 62759074

Frequently Asked Questions

What is the IUPAC name of N'-[(5-chloro-3-pyridinyl)methyl]propane-1,3-diamine?
The IUPAC name of N'-[(5-chloro-3-pyridinyl)methyl]propane-1,3-diamine (CID 21271630) is N'-[(5-chloro-3-pyridinyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-[(5-chloro-3-pyridinyl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-[(5-chloro-3-pyridinyl)methyl]propane-1,3-diamine is NCCCNCc1cncc(Cl)c1.
What is the InChIKey of N'-[(5-chloro-3-pyridinyl)methyl]propane-1,3-diamine?
The InChIKey is JWVQIALZCFZMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c10-9-4-8(6-13-7-9)5-12-3-1-2-11/h4,6-7,12H,1-3,5,11H2.
What are the key properties of N'-[(5-chloro-3-pyridinyl)methyl]propane-1,3-diamine?
N'-[(5-chloro-3-pyridinyl)methyl]propane-1,3-diamine has a molecular weight of 199.69 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-chloro-3-pyridinyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 21271630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).