3-[(5-bromo-2-pyridinyl)methyl]-3-methyl-N-propylcyclopentan-1-amine

C15H23BrN2 — CID 116539610

IUPAC3-[(5-bromo-2-pyridinyl)methyl]-3-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(C)(Cc2ccc(Br)cn2)C1
InChIInChI=1S/C15H23BrN2/c1-3-8-17-14-6-7-15(2,10-14)9-13-5-4-12(16)11-18-13/h4-5,11,14,17H,3,6-10H2,1-2H3
InChIKeyCOLSMLVSJAVYEA-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.94
Rot. Bonds5

About 3-[(5-bromo-2-pyridinyl)methyl]-3-methyl-N-propylcyclopentan-1-amine

3-[(5-bromo-2-pyridinyl)methyl]-3-methyl-N-propylcyclopentan-1-amine (PubChem CID 116539610) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 3-[(5-bromo-2-pyridinyl)methyl]-3-methyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(5-bromo-2-pyridinyl)methyl]-3-methyl-N-propylcyclopentan-1-amine
PubChem CID116539610
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name3-[(5-bromo-2-pyridinyl)methyl]-3-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(C)(Cc2ccc(Br)cn2)C1
InChIInChI=1S/C15H23BrN2/c1-3-8-17-14-6-7-15(2,10-14)9-13-5-4-12(16)11-18-13/h4-5,11,14,17H,3,6-10H2,1-2H3
InChIKeyCOLSMLVSJAVYEA-UHFFFAOYSA-N
XLogP3.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-bromo-2-pyridinyl)methyl]-3-methylcyclopentan-1-ol
CID 116539892
1-[(5-bromo-2-pyridinyl)methyl]-4-(ethylamino)cyclohexan-1-ol
CID 104813045
3-[(5-bromo-2-pyridinyl)methyl]-N-propylcyclopentan-1-amine
CID 104811976
3-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine
CID 116539811
N-[[1-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 104810723
3-methyl-N-propyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
CID 116539638
3-[(2,4-difluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine
CID 116539573
3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine
CID 116539636
1-[(5-bromo-2-pyridinyl)methyl]-2,4,4-trimethylcyclopentan-1-ol
CID 106663812
1-[1-[(5-bromo-2-pyridinyl)methyl]-4-butylcyclohexyl]-N-methylmethanamine
CID 104810592
1-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 104802982
1-[(5-bromo-2-pyridinyl)methyl]-4-methylcyclohexan-1-ol
CID 104801440

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-pyridinyl)methyl]-3-methyl-N-propylcyclopentan-1-amine?
The IUPAC name of 3-[(5-bromo-2-pyridinyl)methyl]-3-methyl-N-propylcyclopentan-1-amine (CID 116539610) is 3-[(5-bromo-2-pyridinyl)methyl]-3-methyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-[(5-bromo-2-pyridinyl)methyl]-3-methyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-[(5-bromo-2-pyridinyl)methyl]-3-methyl-N-propylcyclopentan-1-amine is CCCNC1CCC(C)(Cc2ccc(Br)cn2)C1.
What is the InChIKey of 3-[(5-bromo-2-pyridinyl)methyl]-3-methyl-N-propylcyclopentan-1-amine?
The InChIKey is COLSMLVSJAVYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-3-8-17-14-6-7-15(2,10-14)9-13-5-4-12(16)11-18-13/h4-5,11,14,17H,3,6-10H2,1-2H3.
What are the key properties of 3-[(5-bromo-2-pyridinyl)methyl]-3-methyl-N-propylcyclopentan-1-amine?
3-[(5-bromo-2-pyridinyl)methyl]-3-methyl-N-propylcyclopentan-1-amine has a molecular weight of 311.27 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-pyridinyl)methyl]-3-methyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 116539610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).