(5-bromo-2-pyridinyl)-(3,5-dimethylcyclohexyl)methanamine

C14H21BrN2 — CID 113398353

IUPAC(5-bromo-2-pyridinyl)-(3,5-dimethylcyclohexyl)methanamine
SMILESCC1CC(C)CC(C(N)c2ccc(Br)cn2)C1
InChIInChI=1S/C14H21BrN2/c1-9-5-10(2)7-11(6-9)14(16)13-4-3-12(15)8-17-13/h3-4,8-11,14H,5-7,16H2,1-2H3
InChIKeyLTXMNQZIDIJSQV-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.92
Rot. Bonds2

About (5-bromo-2-pyridinyl)-(3,5-dimethylcyclohexyl)methanamine

(5-bromo-2-pyridinyl)-(3,5-dimethylcyclohexyl)methanamine (PubChem CID 113398353) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)-(3,5-dimethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)-(3,5-dimethylcyclohexyl)methanamine
PubChem CID113398353
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name(5-bromo-2-pyridinyl)-(3,5-dimethylcyclohexyl)methanamine
SMILESCC1CC(C)CC(C(N)c2ccc(Br)cn2)C1
InChIInChI=1S/C14H21BrN2/c1-9-5-10(2)7-11(6-9)14(16)13-4-3-12(15)8-17-13/h3-4,8-11,14H,5-7,16H2,1-2H3
InChIKeyLTXMNQZIDIJSQV-UHFFFAOYSA-N
XLogP3.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(5-bromo-2-pyridinyl)-cyclopropylmethanamine;hydrochloride
CID 171203241
(R)-(5-bromo-2-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171247446
(S)-(5-bromo-2-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171240730
(1S)-1-(5-bromo-2-pyridinyl)-2-cyclopropylethanamine
CID 131118486
1-(5-bromo-2-pyridinyl)pentan-1-amine
CID 70087058
(3,5-dimethylcyclohexyl)-(1,2,5-thiadiazol-3-yl)methanamine
CID 105154268
ethyl (3R)-3-amino-3-(5-bromo-2-pyridinyl)-2-fluoropropanoate
CID 171240736
(1S)-1-[5-(4-bromophenoxy)-2-pyridinyl]propan-1-amine
CID 103937759
3-[amino-(5-methyl-2-pyridinyl)methyl]-N,N-dimethylcyclobutan-1-amine
CID 121393991
[1-(5-bromo-2-pyridinyl)-2-ethoxyethyl]hydrazine
CID 105267714
[1-(5-bromo-2-pyridinyl)-2-cyclobutylethyl]hydrazine
CID 105267791
cyclopropyl-(5-methyl-2-pyridinyl)methanamine;hydrochloride
CID 171338154

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)-(3,5-dimethylcyclohexyl)methanamine?
The IUPAC name of (5-bromo-2-pyridinyl)-(3,5-dimethylcyclohexyl)methanamine (CID 113398353) is (5-bromo-2-pyridinyl)-(3,5-dimethylcyclohexyl)methanamine.
What is the SMILES notation for (5-bromo-2-pyridinyl)-(3,5-dimethylcyclohexyl)methanamine?
The canonical SMILES for (5-bromo-2-pyridinyl)-(3,5-dimethylcyclohexyl)methanamine is CC1CC(C)CC(C(N)c2ccc(Br)cn2)C1.
What is the InChIKey of (5-bromo-2-pyridinyl)-(3,5-dimethylcyclohexyl)methanamine?
The InChIKey is LTXMNQZIDIJSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-9-5-10(2)7-11(6-9)14(16)13-4-3-12(15)8-17-13/h3-4,8-11,14H,5-7,16H2,1-2H3.
What are the key properties of (5-bromo-2-pyridinyl)-(3,5-dimethylcyclohexyl)methanamine?
(5-bromo-2-pyridinyl)-(3,5-dimethylcyclohexyl)methanamine has a molecular weight of 297.24 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)-(3,5-dimethylcyclohexyl)methanamine is sourced from PubChem (CID 113398353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).