1-[(5-bromo-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine

C13H19BrN2 — CID 104802690

IUPAC1-[(5-bromo-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(Cc2cncc(Br)c2)C1
InChIInChI=1S/C13H19BrN2/c1-10-3-2-4-13(15,6-10)7-11-5-12(14)9-16-8-11/h5,8-10H,2-4,6-7,15H2,1H3
InChIKeyLASLPKSTIKGDGV-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.29
Rot. Bonds2

About 1-[(5-bromo-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine

1-[(5-bromo-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine (PubChem CID 104802690) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-[(5-bromo-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(5-bromo-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine
PubChem CID104802690
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name1-[(5-bromo-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(Cc2cncc(Br)c2)C1
InChIInChI=1S/C13H19BrN2/c1-10-3-2-4-13(15,6-10)7-11-5-12(14)9-16-8-11/h5,8-10H,2-4,6-7,15H2,1H3
InChIKeyLASLPKSTIKGDGV-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-[(3-bromo-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 79702899
3-methyl-1-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 104735858
4-[(5-bromo-3-pyridinyl)methyl]oxepan-4-amine
CID 104802931
1-[(5-bromo-3-pyridinyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 104802710
2-(5-bromo-3-pyridinyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116768183
1-[(4-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 60798898
1-[(5-bromo-3-pyridinyl)methyl]-3-methoxycyclohexan-1-ol
CID 106873956
3-methyl-1-(pyridin-3-ylmethyl)cyclopentan-1-amine
CID 104735900
1-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylcyclohexan-1-amine
CID 104802735
8-[(5-bromo-3-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 104802748
1-[(2-chloro-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 102617497
1-[(5-bromo-3-pyridinyl)methyl]-4,4-dimethylcycloheptan-1-ol
CID 113454948

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine?
The IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine (CID 104802690) is 1-[(5-bromo-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[(5-bromo-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-[(5-bromo-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine is CC1CCCC(N)(Cc2cncc(Br)c2)C1.
What is the InChIKey of 1-[(5-bromo-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine?
The InChIKey is LASLPKSTIKGDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-10-3-2-4-13(15,6-10)7-11-5-12(14)9-16-8-11/h5,8-10H,2-4,6-7,15H2,1H3.
What are the key properties of 1-[(5-bromo-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine?
1-[(5-bromo-3-pyridinyl)methyl]-3-methylcyclohexan-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-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 104802690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).