4-(chloromethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-6-propylpyridin-2-amine

C17H28ClN3 — CID 105416214

IUPAC4-(chloromethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-6-propylpyridin-2-amine
SMILESCCCc1cc(CCl)cc(N(C)CC2(N(C)C)CCC2)n1
InChIInChI=1S/C17H28ClN3/c1-5-7-15-10-14(12-18)11-16(19-15)21(4)13-17(20(2)3)8-6-9-17/h10-11H,5-9,12-13H2,1-4H3
InChIKeyUYNVAEYAKODDGN-UHFFFAOYSA-N
MW309.89 g/mol
LogP3.69
Rot. Bonds7

About 4-(chloromethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-6-propylpyridin-2-amine

4-(chloromethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-6-propylpyridin-2-amine (PubChem CID 105416214) has the molecular formula C17H28ClN3 and a molecular weight of 309.89 g/mol. Its IUPAC name is 4-(chloromethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-6-propylpyridin-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-6-propylpyridin-2-amine
PubChem CID105416214
Molecular FormulaC17H28ClN3
Molecular Weight309.89 g/mol
Exact Mass309.20
IUPAC Name4-(chloromethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-6-propylpyridin-2-amine
SMILESCCCc1cc(CCl)cc(N(C)CC2(N(C)C)CCC2)n1
InChIInChI=1S/C17H28ClN3/c1-5-7-15-10-14(12-18)11-16(19-15)21(4)13-17(20(2)3)8-6-9-17/h10-11H,5-9,12-13H2,1-4H3
InChIKeyUYNVAEYAKODDGN-UHFFFAOYSA-N
XLogP3.69
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.89
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-N-methyl-N-pentyl-6-propylpyridin-2-amine
CID 113380652
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine
CID 105420923
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 105420998
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-ethyl-4-N,6-dimethylpyrimidine-2,4-diamine
CID 105420925
4-(chloromethyl)-N-(cyclopropylmethyl)-N,6-dipropylpyridin-2-amine
CID 113380688
6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethylpyrimidin-4-amine
CID 105419888
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine
CID 107380992
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N,5-dimethylpyridine-2,4-diamine
CID 105414019
4-(chloromethyl)-N-ethyl-N-(2-methoxyethyl)-6-propylpyridin-2-amine
CID 113380691
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 105420977
3,5,6-trichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine
CID 102752109
5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 105418372

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-6-propylpyridin-2-amine?
The IUPAC name of 4-(chloromethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-6-propylpyridin-2-amine (CID 105416214) is 4-(chloromethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-6-propylpyridin-2-amine.
What is the SMILES notation for 4-(chloromethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-6-propylpyridin-2-amine?
The canonical SMILES for 4-(chloromethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-6-propylpyridin-2-amine is CCCc1cc(CCl)cc(N(C)CC2(N(C)C)CCC2)n1.
What is the InChIKey of 4-(chloromethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-6-propylpyridin-2-amine?
The InChIKey is UYNVAEYAKODDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3/c1-5-7-15-10-14(12-18)11-16(19-15)21(4)13-17(20(2)3)8-6-9-17/h10-11H,5-9,12-13H2,1-4H3.
What are the key properties of 4-(chloromethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-6-propylpyridin-2-amine?
4-(chloromethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-6-propylpyridin-2-amine has a molecular weight of 309.89 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-6-propylpyridin-2-amine is sourced from PubChem (CID 105416214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).