4-(chloromethyl)-N-cyclopropyl-N-(2-methylpropyl)pyridin-3-amine

C13H19ClN2 — CID 105067384

IUPAC4-(chloromethyl)-N-cyclopropyl-N-(2-methylpropyl)pyridin-3-amine
SMILESCC(C)CN(c1cnccc1CCl)C1CC1
InChIInChI=1S/C13H19ClN2/c1-10(2)9-16(12-3-4-12)13-8-15-6-5-11(13)7-14/h5-6,8,10,12H,3-4,7,9H2,1-2H3
InChIKeyIAOLDRSDXUMHHS-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.45
Rot. Bonds5

About 4-(chloromethyl)-N-cyclopropyl-N-(2-methylpropyl)pyridin-3-amine

4-(chloromethyl)-N-cyclopropyl-N-(2-methylpropyl)pyridin-3-amine (PubChem CID 105067384) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 4-(chloromethyl)-N-cyclopropyl-N-(2-methylpropyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-cyclopropyl-N-(2-methylpropyl)pyridin-3-amine
PubChem CID105067384
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name4-(chloromethyl)-N-cyclopropyl-N-(2-methylpropyl)pyridin-3-amine
SMILESCC(C)CN(c1cnccc1CCl)C1CC1
InChIInChI=1S/C13H19ClN2/c1-10(2)9-16(12-3-4-12)13-8-15-6-5-11(13)7-14/h5-6,8,10,12H,3-4,7,9H2,1-2H3
InChIKeyIAOLDRSDXUMHHS-UHFFFAOYSA-N
XLogP3.45
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-(2-methylpropyl)pyridin-4-amine
CID 81246811
4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-3-amine
CID 105067287
4-(chloromethyl)-N-(1-cyclopropylethyl)-N-methylpyridin-3-amine
CID 105067315
3-(chloromethyl)-N-cyclopropyl-N-methylpyridin-4-amine
CID 81238671
4-(chloromethyl)-N,N-dimethylpyridin-3-amine
CID 105067273
5-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine
CID 83184931
N-cyclopropyl-N-(2-methoxyethyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine
CID 105073396
[3-[cyclopropyl(prop-2-enyl)amino]-4-pyridinyl]methanol
CID 105066944
[3-[cyclopropyl(methyl)amino]-4-pyridinyl]methanol
CID 105066695
N-cyclopropyl-N-(cyclopropylmethyl)-4-(methylaminomethyl)pyridin-3-amine
CID 105074049
4-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-3-amine
CID 105067521
5-(chloromethyl)-N-cyclopropyl-3-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 80629436

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-cyclopropyl-N-(2-methylpropyl)pyridin-3-amine?
The IUPAC name of 4-(chloromethyl)-N-cyclopropyl-N-(2-methylpropyl)pyridin-3-amine (CID 105067384) is 4-(chloromethyl)-N-cyclopropyl-N-(2-methylpropyl)pyridin-3-amine.
What is the SMILES notation for 4-(chloromethyl)-N-cyclopropyl-N-(2-methylpropyl)pyridin-3-amine?
The canonical SMILES for 4-(chloromethyl)-N-cyclopropyl-N-(2-methylpropyl)pyridin-3-amine is CC(C)CN(c1cnccc1CCl)C1CC1.
What is the InChIKey of 4-(chloromethyl)-N-cyclopropyl-N-(2-methylpropyl)pyridin-3-amine?
The InChIKey is IAOLDRSDXUMHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-10(2)9-16(12-3-4-12)13-8-15-6-5-11(13)7-14/h5-6,8,10,12H,3-4,7,9H2,1-2H3.
What are the key properties of 4-(chloromethyl)-N-cyclopropyl-N-(2-methylpropyl)pyridin-3-amine?
4-(chloromethyl)-N-cyclopropyl-N-(2-methylpropyl)pyridin-3-amine has a molecular weight of 238.76 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-cyclopropyl-N-(2-methylpropyl)pyridin-3-amine is sourced from PubChem (CID 105067384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).