5-(chloromethyl)-N-cyclopropyl-3-methyl-N-(2-methylpropyl)pyridin-2-amine

C14H21ClN2 — CID 80629436

IUPAC5-(chloromethyl)-N-cyclopropyl-3-methyl-N-(2-methylpropyl)pyridin-2-amine
SMILESCc1cc(CCl)cnc1N(CC(C)C)C1CC1
InChIInChI=1S/C14H21ClN2/c1-10(2)9-17(13-4-5-13)14-11(3)6-12(7-15)8-16-14/h6,8,10,13H,4-5,7,9H2,1-3H3
InChIKeyUGVHDPYYUSIJMD-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.75
Rot. Bonds5

About 5-(chloromethyl)-N-cyclopropyl-3-methyl-N-(2-methylpropyl)pyridin-2-amine

5-(chloromethyl)-N-cyclopropyl-3-methyl-N-(2-methylpropyl)pyridin-2-amine (PubChem CID 80629436) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 5-(chloromethyl)-N-cyclopropyl-3-methyl-N-(2-methylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-cyclopropyl-3-methyl-N-(2-methylpropyl)pyridin-2-amine
PubChem CID80629436
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name5-(chloromethyl)-N-cyclopropyl-3-methyl-N-(2-methylpropyl)pyridin-2-amine
SMILESCc1cc(CCl)cnc1N(CC(C)C)C1CC1
InChIInChI=1S/C14H21ClN2/c1-10(2)9-17(13-4-5-13)14-11(3)6-12(7-15)8-16-14/h6,8,10,13H,4-5,7,9H2,1-3H3
InChIKeyUGVHDPYYUSIJMD-UHFFFAOYSA-N
XLogP3.75
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.75
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

3-chloro-5-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine
CID 78943846
N-cyclopentyl-5-(ethylaminomethyl)-3-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 80638803
5-(chloromethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine
CID 80627987
5-(aminomethyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 80630541
5-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine
CID 83184931
5-(2-aminopropyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 80634944
5-(aminomethyl)-N-cyclopentyl-N-ethyl-3-methylpyridin-2-amine
CID 80629924
3-bromo-5-chloro-N-cyclopentyl-N-(2-methylpropyl)pyridin-2-amine
CID 114837268
N-cyclopropyl-N-(2-methoxyethyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80630602
5-bromo-3-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine
CID 78943847
5-(2-aminoethyl)-N-cyclopropyl-N,3-dimethylpyridin-2-amine
CID 80633656
5-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylpyridin-2-amine
CID 80630561

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-cyclopropyl-3-methyl-N-(2-methylpropyl)pyridin-2-amine?
The IUPAC name of 5-(chloromethyl)-N-cyclopropyl-3-methyl-N-(2-methylpropyl)pyridin-2-amine (CID 80629436) is 5-(chloromethyl)-N-cyclopropyl-3-methyl-N-(2-methylpropyl)pyridin-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N-cyclopropyl-3-methyl-N-(2-methylpropyl)pyridin-2-amine?
The canonical SMILES for 5-(chloromethyl)-N-cyclopropyl-3-methyl-N-(2-methylpropyl)pyridin-2-amine is Cc1cc(CCl)cnc1N(CC(C)C)C1CC1.
What is the InChIKey of 5-(chloromethyl)-N-cyclopropyl-3-methyl-N-(2-methylpropyl)pyridin-2-amine?
The InChIKey is UGVHDPYYUSIJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-10(2)9-17(13-4-5-13)14-11(3)6-12(7-15)8-16-14/h6,8,10,13H,4-5,7,9H2,1-3H3.
What are the key properties of 5-(chloromethyl)-N-cyclopropyl-3-methyl-N-(2-methylpropyl)pyridin-2-amine?
5-(chloromethyl)-N-cyclopropyl-3-methyl-N-(2-methylpropyl)pyridin-2-amine has a molecular weight of 252.79 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-cyclopropyl-3-methyl-N-(2-methylpropyl)pyridin-2-amine is sourced from PubChem (CID 80629436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).