1-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethylcyclopentan-1-amine

C13H19BrN2 — CID 104802982

IUPAC1-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(N)(Cc2ccc(Br)cn2)C1
InChIInChI=1S/C13H19BrN2/c1-12(2)5-6-13(15,9-12)7-11-4-3-10(14)8-16-11/h3-4,8H,5-7,9,15H2,1-2H3
InChIKeyCEKCHVFWOGBESH-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.29
Rot. Bonds2

About 1-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethylcyclopentan-1-amine

1-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethylcyclopentan-1-amine (PubChem CID 104802982) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethylcyclopentan-1-amine
PubChem CID104802982
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name1-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(N)(Cc2ccc(Br)cn2)C1
InChIInChI=1S/C13H19BrN2/c1-12(2)5-6-13(15,9-12)7-11-4-3-10(14)8-16-11/h3-4,8H,5-7,9,15H2,1-2H3
InChIKeyCEKCHVFWOGBESH-UHFFFAOYSA-N
XLogP3.29
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-ethyl-2-pyridinyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 80692076
1-[(5-bromo-2-pyridinyl)methyl]cyclohexan-1-amine
CID 104802724
1-[(5-ethyl-2-pyridinyl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 79745795
1-[(5-bromo-2-pyridinyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104802926
1-[(5-bromo-2-pyridinyl)methyl]-2,4,4-trimethylcyclopentan-1-ol
CID 106663812
3-[(5-bromo-2-pyridinyl)methyl]-3-methylcyclopentan-1-ol
CID 116539892
2-(5-bromo-2-pyridinyl)-1-(1-methylcyclopentyl)ethanamine
CID 105036053
1-[(5-bromo-2-pyridinyl)methyl]-4-methylcyclohexan-1-ol
CID 104801440
5-bromo-2-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyridine
CID 115666089
3-[(5-bromo-2-pyridinyl)methyl]-3-methyl-N-propylcyclopentan-1-amine
CID 116539610
1-[(5-bromo-2-pyridinyl)methyl]-4-(ethylamino)cyclohexan-1-ol
CID 104813045
N-[[1-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 104810723

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethylcyclopentan-1-amine (CID 104802982) is 1-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethylcyclopentan-1-amine is CC1(C)CCC(N)(Cc2ccc(Br)cn2)C1.
What is the InChIKey of 1-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethylcyclopentan-1-amine?
The InChIKey is CEKCHVFWOGBESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-12(2)5-6-13(15,9-12)7-11-4-3-10(14)8-16-11/h3-4,8H,5-7,9,15H2,1-2H3.
What are the key properties of 1-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethylcyclopentan-1-amine?
1-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethylcyclopentan-1-amine has a molecular weight of 283.21 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 104802982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).