3-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-4,6-dimethylpyridin-2-amine

C15H23ClN2 — CID 107400692

IUPAC3-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-4,6-dimethylpyridin-2-amine
SMILESCCN(CC1CCC1)c1nc(C)cc(C)c1CCl
InChIInChI=1S/C15H23ClN2/c1-4-18(10-13-6-5-7-13)15-14(9-16)11(2)8-12(3)17-15/h8,13H,4-7,9-10H2,1-3H3
InChIKeyVUHPCHJOEQOMPU-UHFFFAOYSA-N
MW266.82 g/mol
LogP4.06
Rot. Bonds5

About 3-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-4,6-dimethylpyridin-2-amine

3-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-4,6-dimethylpyridin-2-amine (PubChem CID 107400692) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 3-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-4,6-dimethylpyridin-2-amine.

Molecular Properties

Compound Name3-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-4,6-dimethylpyridin-2-amine
PubChem CID107400692
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name3-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-4,6-dimethylpyridin-2-amine
SMILESCCN(CC1CCC1)c1nc(C)cc(C)c1CCl
InChIInChI=1S/C15H23ClN2/c1-4-18(10-13-6-5-7-13)15-14(9-16)11(2)8-12(3)17-15/h8,13H,4-7,9-10H2,1-3H3
InChIKeyVUHPCHJOEQOMPU-UHFFFAOYSA-N
XLogP4.06
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 54.06
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-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethyl-4,6-dimethylpyridin-2-amine
CID 63940645
3-(chloromethyl)-N-ethyl-4,6-dimethyl-N-(2-methylpropyl)pyridin-2-amine
CID 61256392
N-(cyclopropylmethyl)-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 63941047
3-(chloromethyl)-N,4,6-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
CID 63236337
N-(cyclobutylmethyl)-3-(ethylaminomethyl)-N,4,6-trimethylpyridin-2-amine
CID 62854383
6-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylpyrazin-2-amine
CID 107400699
2-[cyclopentylmethyl(ethyl)amino]-6-methylpyridine-3-carbaldehyde
CID 87382388
N-(cyclopropylmethyl)-3-(ethylaminomethyl)-4,6-dimethyl-N-propylpyridin-2-amine
CID 62284109
[2-[cyclopentylmethyl(methyl)amino]-4,6-dimethyl-3-pyridinyl]methanol
CID 63631450
4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 107403115
2-[cyclobutylmethyl(ethyl)amino]-6-methylpyridine-4-carbothioamide
CID 107398831
4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-6-propan-2-ylpyridin-2-amine
CID 107400684

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-4,6-dimethylpyridin-2-amine?
The IUPAC name of 3-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-4,6-dimethylpyridin-2-amine (CID 107400692) is 3-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-4,6-dimethylpyridin-2-amine.
What is the SMILES notation for 3-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-4,6-dimethylpyridin-2-amine?
The canonical SMILES for 3-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-4,6-dimethylpyridin-2-amine is CCN(CC1CCC1)c1nc(C)cc(C)c1CCl.
What is the InChIKey of 3-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-4,6-dimethylpyridin-2-amine?
The InChIKey is VUHPCHJOEQOMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-4-18(10-13-6-5-7-13)15-14(9-16)11(2)8-12(3)17-15/h8,13H,4-7,9-10H2,1-3H3.
What are the key properties of 3-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-4,6-dimethylpyridin-2-amine?
3-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-4,6-dimethylpyridin-2-amine has a molecular weight of 266.82 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-4,6-dimethylpyridin-2-amine is sourced from PubChem (CID 107400692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).