5-bromo-N-cyclohexyl-N-ethyl-3-(propylaminomethyl)pyridin-2-amine

C17H28BrN3 — CID 63487902

IUPAC5-bromo-N-cyclohexyl-N-ethyl-3-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cc(Br)cnc1N(CC)C1CCCCC1
InChIInChI=1S/C17H28BrN3/c1-3-10-19-12-14-11-15(18)13-20-17(14)21(4-2)16-8-6-5-7-9-16/h11,13,16,19H,3-10,12H2,1-2H3
InChIKeySNSGBKSFBRPLOD-UHFFFAOYSA-N
MW354.34 g/mol
LogP4.50
Rot. Bonds7

About 5-bromo-N-cyclohexyl-N-ethyl-3-(propylaminomethyl)pyridin-2-amine

5-bromo-N-cyclohexyl-N-ethyl-3-(propylaminomethyl)pyridin-2-amine (PubChem CID 63487902) has the molecular formula C17H28BrN3 and a molecular weight of 354.34 g/mol. Its IUPAC name is 5-bromo-N-cyclohexyl-N-ethyl-3-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-cyclohexyl-N-ethyl-3-(propylaminomethyl)pyridin-2-amine
PubChem CID63487902
Molecular FormulaC17H28BrN3
Molecular Weight354.34 g/mol
Exact Mass353.15
IUPAC Name5-bromo-N-cyclohexyl-N-ethyl-3-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cc(Br)cnc1N(CC)C1CCCCC1
InChIInChI=1S/C17H28BrN3/c1-3-10-19-12-14-11-15(18)13-20-17(14)21(4-2)16-8-6-5-7-9-16/h11,13,16,19H,3-10,12H2,1-2H3
InChIKeySNSGBKSFBRPLOD-UHFFFAOYSA-N
XLogP4.50
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 54.50
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

3-(aminomethyl)-5-bromo-N-cyclohexyl-N-ethylpyridin-2-amine
CID 62300161
5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 55059195
N-[(5-bromo-2-cycloheptyloxy-3-pyridinyl)methyl]propan-1-amine
CID 63490204
5-bromo-N-methyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine
CID 62285133
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-2-N-cyclopropyl-2-N-ethylpyridine-2,3-diamine
CID 61228482
N-cyclopropyl-N-ethyl-4-(propylaminomethyl)isoquinolin-1-amine
CID 106775153
5-bromo-N-ethyl-N-(2-methylprop-2-enyl)-3-(propylaminomethyl)pyridin-2-amine
CID 62281050
5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 55059305
5-bromo-N-cyclopropyl-N-(2-methylpropyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 63487745

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclohexyl-N-ethyl-3-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-cyclohexyl-N-ethyl-3-(propylaminomethyl)pyridin-2-amine (CID 63487902) is 5-bromo-N-cyclohexyl-N-ethyl-3-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-cyclohexyl-N-ethyl-3-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-cyclohexyl-N-ethyl-3-(propylaminomethyl)pyridin-2-amine is CCCNCc1cc(Br)cnc1N(CC)C1CCCCC1.
What is the InChIKey of 5-bromo-N-cyclohexyl-N-ethyl-3-(propylaminomethyl)pyridin-2-amine?
The InChIKey is SNSGBKSFBRPLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrN3/c1-3-10-19-12-14-11-15(18)13-20-17(14)21(4-2)16-8-6-5-7-9-16/h11,13,16,19H,3-10,12H2,1-2H3.
What are the key properties of 5-bromo-N-cyclohexyl-N-ethyl-3-(propylaminomethyl)pyridin-2-amine?
5-bromo-N-cyclohexyl-N-ethyl-3-(propylaminomethyl)pyridin-2-amine has a molecular weight of 354.34 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclohexyl-N-ethyl-3-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 63487902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).