4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-6-propan-2-ylpyridin-2-amine

C16H25ClN2 — CID 107400684

IUPAC4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-6-propan-2-ylpyridin-2-amine
SMILESCCN(CC1CCC1)c1cc(CCl)cc(C(C)C)n1
InChIInChI=1S/C16H25ClN2/c1-4-19(11-13-6-5-7-13)16-9-14(10-17)8-15(18-16)12(2)3/h8-9,12-13H,4-7,10-11H2,1-3H3
InChIKeyARMVKHVVOQEIHO-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.57
Rot. Bonds6

About 4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-6-propan-2-ylpyridin-2-amine

4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-6-propan-2-ylpyridin-2-amine (PubChem CID 107400684) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-6-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-6-propan-2-ylpyridin-2-amine
PubChem CID107400684
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-6-propan-2-ylpyridin-2-amine
SMILESCCN(CC1CCC1)c1cc(CCl)cc(C(C)C)n1
InChIInChI=1S/C16H25ClN2/c1-4-19(11-13-6-5-7-13)16-9-14(10-17)8-15(18-16)12(2)3/h8-9,12-13H,4-7,10-11H2,1-3H3
InChIKeyARMVKHVVOQEIHO-UHFFFAOYSA-N
XLogP4.57
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-6-propan-2-ylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylpyrazin-2-amine
CID 107400699
4-(chloromethyl)-N-(cyclopropylmethyl)-N,6-dipropylpyridin-2-amine
CID 113380688
N-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 107401875
3-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-4,6-dimethylpyridin-2-amine
CID 107400692
4-(chloromethyl)-N-cyclopentyl-N,6-diethylpyridin-2-amine
CID 113380658
2-amino-N-(cyclobutylmethyl)-N-ethyl-6-propan-2-ylpyridine-4-carboxamide
CID 107401363
4-[cyclobutylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136998914
4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 107403115
4-(chloromethyl)-N-methyl-6-propan-2-yl-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 113380762
4-N-(cyclobutylmethyl)-4-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 107403126
2-N-(cyclobutylmethyl)-2-N-ethylpyrazine-2,5-diamine
CID 107402995
4-ethyl-N,N-dimethyl-6-propan-2-ylpyridin-2-amine
CID 165411396

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-6-propan-2-ylpyridin-2-amine?
The IUPAC name of 4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-6-propan-2-ylpyridin-2-amine (CID 107400684) is 4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-6-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-6-propan-2-ylpyridin-2-amine?
The canonical SMILES for 4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-6-propan-2-ylpyridin-2-amine is CCN(CC1CCC1)c1cc(CCl)cc(C(C)C)n1.
What is the InChIKey of 4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-6-propan-2-ylpyridin-2-amine?
The InChIKey is ARMVKHVVOQEIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-4-19(11-13-6-5-7-13)16-9-14(10-17)8-15(18-16)12(2)3/h8-9,12-13H,4-7,10-11H2,1-3H3.
What are the key properties of 4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-6-propan-2-ylpyridin-2-amine?
4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-6-propan-2-ylpyridin-2-amine has a molecular weight of 280.84 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-6-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 107400684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).