N'-[(6-chloro-3-pyridinyl)methyl]propane-1,3-diamine;hydrochloride

C9H15Cl2N3 — CID 86584506

IUPACN'-[(6-chloro-3-pyridinyl)methyl]propane-1,3-diamine;hydrochloride
SMILESCl.NCCCNCc1ccc(Cl)nc1
InChIInChI=1S/C9H14ClN3.ClH/c10-9-3-2-8(7-13-9)6-12-5-1-4-11;/h2-3,7,12H,1,4-6,11H2;1H
InChIKeyCNSDNGUIOXYPHT-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.60
Rot. Bonds5

About N'-[(6-chloro-3-pyridinyl)methyl]propane-1,3-diamine;hydrochloride

N'-[(6-chloro-3-pyridinyl)methyl]propane-1,3-diamine;hydrochloride (PubChem CID 86584506) has the molecular formula C9H15Cl2N3 and a molecular weight of 236.15 g/mol. Its IUPAC name is N'-[(6-chloro-3-pyridinyl)methyl]propane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN'-[(6-chloro-3-pyridinyl)methyl]propane-1,3-diamine;hydrochloride
PubChem CID86584506
Molecular FormulaC9H15Cl2N3
Molecular Weight236.15 g/mol
Exact Mass235.06
IUPAC NameN'-[(6-chloro-3-pyridinyl)methyl]propane-1,3-diamine;hydrochloride
SMILESCl.NCCCNCc1ccc(Cl)nc1
InChIInChI=1S/C9H14ClN3.ClH/c10-9-3-2-8(7-13-9)6-12-5-1-4-11;/h2-3,7,12H,1,4-6,11H2;1H
InChIKeyCNSDNGUIOXYPHT-UHFFFAOYSA-N
XLogP1.60
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(6-chloro-3-pyridinyl)methyl]-4-methylsulfanylbutan-1-amine
CID 115683712
N'-[[4-[(3-aminopropylamino)methyl]phenyl]methyl]propane-1,3-diamine
CID 10106170
(6-chloro-3-pyridinyl)methylhydrazine;hydrochloride
CID 53229944
3-(6-chloro-3-pyridinyl)propan-1-amine
CID 55266359
N'-[(2-chloro-4-pyridinyl)methyl]propane-1,3-diamine
CID 21271634
N'-[(3,4-dichlorophenyl)methyl]propane-1,3-diamine
CID 18353717
N-[(6-chloro-3-pyridinyl)methyl]-3,3-dimethylbutan-1-amine
CID 115683638
ethane;N'-[(6-methyl-3-pyridinyl)methyl]butane-1,4-diamine
CID 145198308
N-[(6-chloro-3-pyridinyl)methyl]-2-propan-2-yloxyethanamine
CID 104588324
N-[(6-chloro-3-pyridinyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 78840554
N'-[(5-ethyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79739974
1-(6-chloro-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]methanamine
CID 83338791

Frequently Asked Questions

What is the IUPAC name of N'-[(6-chloro-3-pyridinyl)methyl]propane-1,3-diamine;hydrochloride?
The IUPAC name of N'-[(6-chloro-3-pyridinyl)methyl]propane-1,3-diamine;hydrochloride (CID 86584506) is N'-[(6-chloro-3-pyridinyl)methyl]propane-1,3-diamine;hydrochloride.
What is the SMILES notation for N'-[(6-chloro-3-pyridinyl)methyl]propane-1,3-diamine;hydrochloride?
The canonical SMILES for N'-[(6-chloro-3-pyridinyl)methyl]propane-1,3-diamine;hydrochloride is Cl.NCCCNCc1ccc(Cl)nc1.
What is the InChIKey of N'-[(6-chloro-3-pyridinyl)methyl]propane-1,3-diamine;hydrochloride?
The InChIKey is CNSDNGUIOXYPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3.ClH/c10-9-3-2-8(7-13-9)6-12-5-1-4-11;/h2-3,7,12H,1,4-6,11H2;1H.
What are the key properties of N'-[(6-chloro-3-pyridinyl)methyl]propane-1,3-diamine;hydrochloride?
N'-[(6-chloro-3-pyridinyl)methyl]propane-1,3-diamine;hydrochloride has a molecular weight of 236.15 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(6-chloro-3-pyridinyl)methyl]propane-1,3-diamine;hydrochloride is sourced from PubChem (CID 86584506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).