5-bromo-3-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine

C13H18BrClN2 — CID 62001137

IUPAC5-bromo-3-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine
SMILESCCCN(CC1CC1)c1ncc(Br)cc1CCl
InChIInChI=1S/C13H18BrClN2/c1-2-5-17(9-10-3-4-10)13-11(7-15)6-12(14)8-16-13/h6,8,10H,2-5,7,9H2,1H3
InChIKeyPDUXQPFNDNDCQP-UHFFFAOYSA-N
MW317.66 g/mol
LogP4.21
Rot. Bonds6

About 5-bromo-3-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine

5-bromo-3-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine (PubChem CID 62001137) has the molecular formula C13H18BrClN2 and a molecular weight of 317.66 g/mol. Its IUPAC name is 5-bromo-3-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine
PubChem CID62001137
Molecular FormulaC13H18BrClN2
Molecular Weight317.66 g/mol
Exact Mass316.03
IUPAC Name5-bromo-3-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine
SMILESCCCN(CC1CC1)c1ncc(Br)cc1CCl
InChIInChI=1S/C13H18BrClN2/c1-2-5-17(9-10-3-4-10)13-11(7-15)6-12(14)8-16-13/h6,8,10H,2-5,7,9H2,1H3
InChIKeyPDUXQPFNDNDCQP-UHFFFAOYSA-N
XLogP4.21
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.66
LogP ≤ 54.21
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

5-bromo-N-butyl-3-(chloromethyl)-N-cyclopropylpyridin-2-amine
CID 55199953
3-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyridine-2,5-diamine
CID 79531954
5-bromo-3-(methylaminomethyl)-N,N-dipropylpyridin-2-amine
CID 55054995
5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine
CID 107373395
5-bromo-3-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
CID 107400761
5-bromo-3-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine
CID 78943847
N'-[5-bromo-3-(chloromethyl)-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63700610
5-bromo-N,N-dipropyl-3-(propylaminomethyl)pyridin-2-amine
CID 62285283
5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine
CID 79719331
3-bromo-8-N-(cyclopropylmethyl)-8-N-propylquinoline-5,8-diamine
CID 106949079
5-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine
CID 106642340
5-bromo-3-(chloromethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine
CID 63446077

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine?
The IUPAC name of 5-bromo-3-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine (CID 62001137) is 5-bromo-3-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine is CCCN(CC1CC1)c1ncc(Br)cc1CCl.
What is the InChIKey of 5-bromo-3-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine?
The InChIKey is PDUXQPFNDNDCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2/c1-2-5-17(9-10-3-4-10)13-11(7-15)6-12(14)8-16-13/h6,8,10H,2-5,7,9H2,1H3.
What are the key properties of 5-bromo-3-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine?
5-bromo-3-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine has a molecular weight of 317.66 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine is sourced from PubChem (CID 62001137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).