1-N-[(6-chloro-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine

C11H18ClN3 — CID 115683677

IUPAC1-N-[(6-chloro-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCC(CNCc1ccc(Cl)nc1)N(C)C
InChIInChI=1S/C11H18ClN3/c1-9(15(2)3)6-13-7-10-4-5-11(12)14-8-10/h4-5,8-9,13H,6-7H2,1-3H3
InChIKeyUDLYPXPBTAWOBO-UHFFFAOYSA-N
MW227.74 g/mol
LogP1.77
Rot. Bonds5

About 1-N-[(6-chloro-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine

1-N-[(6-chloro-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 115683677) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 1-N-[(6-chloro-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(6-chloro-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
PubChem CID115683677
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name1-N-[(6-chloro-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCC(CNCc1ccc(Cl)nc1)N(C)C
InChIInChI=1S/C11H18ClN3/c1-9(15(2)3)6-13-7-10-4-5-11(12)14-8-10/h4-5,8-9,13H,6-7H2,1-3H3
InChIKeyUDLYPXPBTAWOBO-UHFFFAOYSA-N
XLogP1.77
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-[(6-methoxy-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 114936683
2-chloro-5-(chloromethyl)pyridine;N-[(6-chloro-3-pyridinyl)methyl]-2,2-difluoroethanamine;2,2-difluoroethanamine;N-ethyl-N-propan-2-ylpropan-2-amine
CID 160879495
N-[(6-chloro-3-pyridinyl)methyl]-2-propan-2-yloxyethanamine
CID 104588324
2-N,2-N-dimethyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 61044403
1-N-[(4-bromo-3-chlorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 103581679
2-[(6-chloro-3-pyridinyl)methylamino]-1-(4-methylphenyl)ethanol
CID 111476645
1-N-[(4-tert-butylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913292
3-[(6-chloro-3-pyridinyl)methylamino]-N,N-dimethylpropanamide
CID 115678460
N-[(6-chloro-3-pyridinyl)methyl]-3,3-dimethylbutan-1-amine
CID 115683638
N'-[(6-chloro-3-pyridinyl)methyl]propane-1,3-diamine;hydrochloride
CID 86584506
2-[(6-chloro-3-pyridinyl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol
CID 111916706
2-[(6-chloro-3-pyridinyl)methylamino]-1-(2,6-difluorophenyl)ethanol
CID 110898133

Frequently Asked Questions

What is the IUPAC name of 1-N-[(6-chloro-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[(6-chloro-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine (CID 115683677) is 1-N-[(6-chloro-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(6-chloro-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(6-chloro-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine is CC(CNCc1ccc(Cl)nc1)N(C)C.
What is the InChIKey of 1-N-[(6-chloro-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is UDLYPXPBTAWOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-9(15(2)3)6-13-7-10-4-5-11(12)14-8-10/h4-5,8-9,13H,6-7H2,1-3H3.
What are the key properties of 1-N-[(6-chloro-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
1-N-[(6-chloro-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 227.74 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(6-chloro-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115683677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).