5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine

C15H24BrN3 — CID 55059195

IUPAC5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cc(Br)cnc1N(C)C(C)C1CC1
InChIInChI=1S/C15H24BrN3/c1-4-7-17-9-13-8-14(16)10-18-15(13)19(3)11(2)12-5-6-12/h8,10-12,17H,4-7,9H2,1-3H3
InChIKeyXSSFSRCZQLLYLC-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.58
Rot. Bonds7

About 5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine

5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine (PubChem CID 55059195) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
PubChem CID55059195
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cc(Br)cnc1N(C)C(C)C1CC1
InChIInChI=1S/C15H24BrN3/c1-4-7-17-9-13-8-14(16)10-18-15(13)19(3)11(2)12-5-6-12/h8,10-12,17H,4-7,9H2,1-3H3
InChIKeyXSSFSRCZQLLYLC-UHFFFAOYSA-N
XLogP3.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-methyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine
CID 62285133
5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62282579
5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 55059305
5-bromo-N-cyclohexyl-N-ethyl-3-(propylaminomethyl)pyridin-2-amine
CID 63487902
5-bromo-N,N-dipropyl-3-(propylaminomethyl)pyridin-2-amine
CID 62285283
5-bromo-N-methyl-N-(oxolan-3-yl)-3-(propylaminomethyl)pyridin-2-amine
CID 82754864
5-bromo-N-methyl-N-(oxan-4-ylmethyl)-3-(propylaminomethyl)pyridin-2-amine
CID 63708114
5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine
CID 63274618
5-bromo-3-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine
CID 62287100
5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-2-amine
CID 62283954
N-[(5-bromo-2-cycloheptyloxy-3-pyridinyl)methyl]propan-1-amine
CID 63490204
5-bromo-3-[(tert-butylamino)methyl]-N-methyl-N-pentan-2-ylpyridin-2-amine
CID 62283114

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine (CID 55059195) is 5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine is CCCNCc1cc(Br)cnc1N(C)C(C)C1CC1.
What is the InChIKey of 5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine?
The InChIKey is XSSFSRCZQLLYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-4-7-17-9-13-8-14(16)10-18-15(13)19(3)11(2)12-5-6-12/h8,10-12,17H,4-7,9H2,1-3H3.
What are the key properties of 5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine?
5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine has a molecular weight of 326.28 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 55059195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).