4-(chloromethyl)-N-methyl-N-pentyl-6-propylpyridin-2-amine

C15H25ClN2 — CID 113380652

IUPAC4-(chloromethyl)-N-methyl-N-pentyl-6-propylpyridin-2-amine
SMILESCCCCCN(C)c1cc(CCl)cc(CCC)n1
InChIInChI=1S/C15H25ClN2/c1-4-6-7-9-18(3)15-11-13(12-16)10-14(17-15)8-5-2/h10-11H,4-9,12H2,1-3H3
InChIKeyQLMYUUIAANTFJB-UHFFFAOYSA-N
MW268.83 g/mol
LogP4.40
Rot. Bonds8

About 4-(chloromethyl)-N-methyl-N-pentyl-6-propylpyridin-2-amine

4-(chloromethyl)-N-methyl-N-pentyl-6-propylpyridin-2-amine (PubChem CID 113380652) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 4-(chloromethyl)-N-methyl-N-pentyl-6-propylpyridin-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-methyl-N-pentyl-6-propylpyridin-2-amine
PubChem CID113380652
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name4-(chloromethyl)-N-methyl-N-pentyl-6-propylpyridin-2-amine
SMILESCCCCCN(C)c1cc(CCl)cc(CCC)n1
InChIInChI=1S/C15H25ClN2/c1-4-6-7-9-18(3)15-11-13(12-16)10-14(17-15)8-5-2/h10-11H,4-9,12H2,1-3H3
InChIKeyQLMYUUIAANTFJB-UHFFFAOYSA-N
XLogP4.40
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-6-propylpyridin-2-amine
CID 105416214
4-(chloromethyl)-N-ethyl-N-(2-methoxyethyl)-6-propylpyridin-2-amine
CID 113380691
4-(chloromethyl)-N-(cyclopropylmethyl)-N,6-dipropylpyridin-2-amine
CID 113380688
5-(chloromethyl)-N,3-dimethyl-N-pentylpyridin-2-amine
CID 80628542
N-butyl-6-chloro-N,2-dimethylpyrimidin-4-amine
CID 62483143
2-N-methyl-2-N-pentylpyrazine-2,5-diamine
CID 80653265
4-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
CID 62280087
4-N-butyl-6-N-ethyl-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945395
2-ethyl-4-N,6-N-dimethyl-4-N-pentylpyrimidine-4,6-diamine
CID 80933276
5-chloro-4-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
CID 114925483
4-(aminomethyl)-N-butyl-N-methyl-6-propan-2-ylpyridin-2-amine
CID 113381289
[2-[butyl(methyl)amino]-4-pyridinyl]methanol
CID 61254738

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-methyl-N-pentyl-6-propylpyridin-2-amine?
The IUPAC name of 4-(chloromethyl)-N-methyl-N-pentyl-6-propylpyridin-2-amine (CID 113380652) is 4-(chloromethyl)-N-methyl-N-pentyl-6-propylpyridin-2-amine.
What is the SMILES notation for 4-(chloromethyl)-N-methyl-N-pentyl-6-propylpyridin-2-amine?
The canonical SMILES for 4-(chloromethyl)-N-methyl-N-pentyl-6-propylpyridin-2-amine is CCCCCN(C)c1cc(CCl)cc(CCC)n1.
What is the InChIKey of 4-(chloromethyl)-N-methyl-N-pentyl-6-propylpyridin-2-amine?
The InChIKey is QLMYUUIAANTFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-4-6-7-9-18(3)15-11-13(12-16)10-14(17-15)8-5-2/h10-11H,4-9,12H2,1-3H3.
What are the key properties of 4-(chloromethyl)-N-methyl-N-pentyl-6-propylpyridin-2-amine?
4-(chloromethyl)-N-methyl-N-pentyl-6-propylpyridin-2-amine has a molecular weight of 268.83 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-methyl-N-pentyl-6-propylpyridin-2-amine is sourced from PubChem (CID 113380652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).