2-bromo-N-[(3-methylcyclohexyl)methyl]prop-2-en-1-amine

C11H20BrN — CID 115881224

IUPAC2-bromo-N-[(3-methylcyclohexyl)methyl]prop-2-en-1-amine
SMILESC=C(Br)CNCC1CCCC(C)C1
InChIInChI=1S/C11H20BrN/c1-9-4-3-5-11(6-9)8-13-7-10(2)12/h9,11,13H,2-8H2,1H3
InChIKeyXFESFKYKVKYTIA-UHFFFAOYSA-N
MW246.19 g/mol
LogP3.31
Rot. Bonds4

About 2-bromo-N-[(3-methylcyclohexyl)methyl]prop-2-en-1-amine

2-bromo-N-[(3-methylcyclohexyl)methyl]prop-2-en-1-amine (PubChem CID 115881224) has the molecular formula C11H20BrN and a molecular weight of 246.19 g/mol. Its IUPAC name is 2-bromo-N-[(3-methylcyclohexyl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-bromo-N-[(3-methylcyclohexyl)methyl]prop-2-en-1-amine
PubChem CID115881224
Molecular FormulaC11H20BrN
Molecular Weight246.19 g/mol
Exact Mass245.08
IUPAC Name2-bromo-N-[(3-methylcyclohexyl)methyl]prop-2-en-1-amine
SMILESC=C(Br)CNCC1CCCC(C)C1
InChIInChI=1S/C11H20BrN/c1-9-4-3-5-11(6-9)8-13-7-10(2)12/h9,11,13H,2-8H2,1H3
InChIKeyXFESFKYKVKYTIA-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-methylcyclohexyl)-N-[(2-methylcyclopropyl)methyl]methanamine
CID 115881198
2-bromo-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine
CID 60972483
(2R)-1-[(3-methylcyclohexyl)methylamino]propan-2-ol
CID 103884165
4-[(3-methylcyclohexyl)methylamino]butan-1-ol
CID 106840660
1-(3-methylcyclohexyl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103883987
N-methoxy-1-[(1S,3S)-3-methylcyclohexyl]methanamine
CID 124574787
2-ethylsulfonyl-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 103710561
3,3-dimethyl-1-[(3-methylcyclohexyl)methylamino]butan-2-ol
CID 115881231
[(1S)-3-methylcyclohexyl]methanol
CID 89207619
2-ethyl-2-[[(3-methylcyclohexyl)methylamino]methyl]butan-1-ol
CID 113345559
3-methyl-N-[(3-methylcyclohexyl)methyl]but-2-enamide
CID 130157819
1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 19860313

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3-methylcyclohexyl)methyl]prop-2-en-1-amine?
The IUPAC name of 2-bromo-N-[(3-methylcyclohexyl)methyl]prop-2-en-1-amine (CID 115881224) is 2-bromo-N-[(3-methylcyclohexyl)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-bromo-N-[(3-methylcyclohexyl)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-bromo-N-[(3-methylcyclohexyl)methyl]prop-2-en-1-amine is C=C(Br)CNCC1CCCC(C)C1.
What is the InChIKey of 2-bromo-N-[(3-methylcyclohexyl)methyl]prop-2-en-1-amine?
The InChIKey is XFESFKYKVKYTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN/c1-9-4-3-5-11(6-9)8-13-7-10(2)12/h9,11,13H,2-8H2,1H3.
What are the key properties of 2-bromo-N-[(3-methylcyclohexyl)methyl]prop-2-en-1-amine?
2-bromo-N-[(3-methylcyclohexyl)methyl]prop-2-en-1-amine has a molecular weight of 246.19 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3-methylcyclohexyl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 115881224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).