N-(chloromethyl)-2-methyl-2-pyridin-3-ylpropan-1-amine

C10H15ClN2 — CID 115263711

IUPACN-(chloromethyl)-2-methyl-2-pyridin-3-ylpropan-1-amine
SMILESCC(C)(CNCCl)c1cccnc1
InChIInChI=1S/C10H15ClN2/c1-10(2,7-13-8-11)9-4-3-5-12-6-9/h3-6,13H,7-8H2,1-2H3
InChIKeyROJSFCDBASBUMC-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.15
Rot. Bonds4

About N-(chloromethyl)-2-methyl-2-pyridin-3-ylpropan-1-amine

N-(chloromethyl)-2-methyl-2-pyridin-3-ylpropan-1-amine (PubChem CID 115263711) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is N-(chloromethyl)-2-methyl-2-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-(chloromethyl)-2-methyl-2-pyridin-3-ylpropan-1-amine
PubChem CID115263711
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC NameN-(chloromethyl)-2-methyl-2-pyridin-3-ylpropan-1-amine
SMILESCC(C)(CNCCl)c1cccnc1
InChIInChI=1S/C10H15ClN2/c1-10(2,7-13-8-11)9-4-3-5-12-6-9/h3-6,13H,7-8H2,1-2H3
InChIKeyROJSFCDBASBUMC-UHFFFAOYSA-N
XLogP2.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(2-methyl-2-pyridin-3-ylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206679
1-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,2-diamine
CID 170754515
2-methyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid
CID 115219667
2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-pyridin-3-ylpropan-1-amine
CID 115246344
4-[(2-methyl-2-pyridin-3-ylpropyl)amino]butanoic acid
CID 115218841
2-methyl-N-(piperidin-4-ylmethyl)-2-pyridin-3-ylpropan-1-amine
CID 115210078
3-methyl-3-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,3-diamine
CID 115135086
(2-methyl-2-pyridin-3-ylpropyl)urea
CID 115168843
2-(methylamino)-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid
CID 115256328
methyl 4-[(2-methyl-2-pyridin-3-ylpropyl)amino]butanoate
CID 115233553
2-(3-bromophenyl)-N-(chloromethyl)-2-methylpropan-1-amine
CID 115263709
2-methyl-2-pyridin-3-yl-N-(pyrrolidin-3-ylmethyl)propan-1-amine
CID 115209149

Frequently Asked Questions

What is the IUPAC name of N-(chloromethyl)-2-methyl-2-pyridin-3-ylpropan-1-amine?
The IUPAC name of N-(chloromethyl)-2-methyl-2-pyridin-3-ylpropan-1-amine (CID 115263711) is N-(chloromethyl)-2-methyl-2-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for N-(chloromethyl)-2-methyl-2-pyridin-3-ylpropan-1-amine?
The canonical SMILES for N-(chloromethyl)-2-methyl-2-pyridin-3-ylpropan-1-amine is CC(C)(CNCCl)c1cccnc1.
What is the InChIKey of N-(chloromethyl)-2-methyl-2-pyridin-3-ylpropan-1-amine?
The InChIKey is ROJSFCDBASBUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-10(2,7-13-8-11)9-4-3-5-12-6-9/h3-6,13H,7-8H2,1-2H3.
What are the key properties of N-(chloromethyl)-2-methyl-2-pyridin-3-ylpropan-1-amine?
N-(chloromethyl)-2-methyl-2-pyridin-3-ylpropan-1-amine has a molecular weight of 198.70 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)-2-methyl-2-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 115263711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).