N-[(2-chloro-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride

C11H19Cl2N3 — CID 115614135

IUPACN-[(2-chloro-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride
SMILESCN(C)CCCNCc1cccnc1Cl.Cl
InChIInChI=1S/C11H18ClN3.ClH/c1-15(2)8-4-6-13-9-10-5-3-7-14-11(10)12;/h3,5,7,13H,4,6,8-9H2,1-2H3;1H
InChIKeyVNYVDZDNZINSBY-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.20
Rot. Bonds6

About N-[(2-chloro-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride

N-[(2-chloro-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride (PubChem CID 115614135) has the molecular formula C11H19Cl2N3 and a molecular weight of 264.20 g/mol. Its IUPAC name is N-[(2-chloro-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-chloro-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride
PubChem CID115614135
Molecular FormulaC11H19Cl2N3
Molecular Weight264.20 g/mol
Exact Mass263.10
IUPAC NameN-[(2-chloro-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride
SMILESCN(C)CCCNCc1cccnc1Cl.Cl
InChIInChI=1S/C11H18ClN3.ClH/c1-15(2)8-4-6-13-9-10-5-3-7-14-11(10)12;/h3,5,7,13H,4,6,8-9H2,1-2H3;1H
InChIKeyVNYVDZDNZINSBY-UHFFFAOYSA-N
XLogP2.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 52.20
H-Bond Donors ≤ 51
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'}

Analyze N-[(2-chloro-3-pyridinyl)methyl]-N',N'-dimethylpropane-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

N-[(2-chloro-3-pyridinyl)methyl]-4-methylsulfanylbutan-1-amine
CID 115639168
2-[2-[(2-chloro-3-pyridinyl)methylamino]ethoxy]ethanol
CID 82681883
1-(2-chloro-3-pyridinyl)-N-methylmethanamine
CID 22450444
1-(2-chloro-3-pyridinyl)-N-[(2-methylphenyl)methyl]methanamine
CID 83303844
3-[(2-chloro-3-pyridinyl)methylamino]-N-methylpropanamide
CID 115641584
N-[(2-chloro-3-pyridinyl)methyl]propan-2-amine;hydrochloride
CID 115614136
N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 17294130
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 17292552
N-[(3-bromo-2-fluorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 107951105
2-[(2-chloro-3-pyridinyl)methylamino]-N-propylacetamide;hydrochloride
CID 115614180
1-(2-chloro-3-pyridinyl)-N-[(2-chloro-3-pyridinyl)methyl]-N-methylmethanamine
CID 139621054
N-[(2-chloro-3-pyridinyl)methyl]-2-prop-2-ynylsulfanylethanamine
CID 115642873

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride?
The IUPAC name of N-[(2-chloro-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride (CID 115614135) is N-[(2-chloro-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride.
What is the SMILES notation for N-[(2-chloro-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride?
The canonical SMILES for N-[(2-chloro-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride is CN(C)CCCNCc1cccnc1Cl.Cl.
What is the InChIKey of N-[(2-chloro-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride?
The InChIKey is VNYVDZDNZINSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3.ClH/c1-15(2)8-4-6-13-9-10-5-3-7-14-11(10)12;/h3,5,7,13H,4,6,8-9H2,1-2H3;1H.
What are the key properties of N-[(2-chloro-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride?
N-[(2-chloro-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride has a molecular weight of 264.20 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride is sourced from PubChem (CID 115614135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).