2-bromo-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine

C12H22BrN — CID 60972483

IUPAC2-bromo-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine
SMILESC=C(Br)CNCC1CCC(CC)CC1
InChIInChI=1S/C12H22BrN/c1-3-11-4-6-12(7-5-11)9-14-8-10(2)13/h11-12,14H,2-9H2,1H3
InChIKeyLOUHUUZVDCUMIA-UHFFFAOYSA-N
MW260.22 g/mol
LogP3.70
Rot. Bonds5

About 2-bromo-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine

2-bromo-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine (PubChem CID 60972483) has the molecular formula C12H22BrN and a molecular weight of 260.22 g/mol. Its IUPAC name is 2-bromo-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-bromo-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine
PubChem CID60972483
Molecular FormulaC12H22BrN
Molecular Weight260.22 g/mol
Exact Mass259.09
IUPAC Name2-bromo-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine
SMILESC=C(Br)CNCC1CCC(CC)CC1
InChIInChI=1S/C12H22BrN/c1-3-11-4-6-12(7-5-11)9-14-8-10(2)13/h11-12,14H,2-9H2,1H3
InChIKeyLOUHUUZVDCUMIA-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2-bromoprop-2-enylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532642
2-bromo-N-[(3-methylcyclohexyl)methyl]prop-2-en-1-amine
CID 115881224
(2Z)-2-(1-chloroethenyl)-N-[(4-ethylcyclohexyl)methyl]penta-2,4-dien-1-amine
CID 142913118
N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine
CID 62139739
2-[(4-ethylcyclohexyl)methylamino]-N,N-dimethylacetamide
CID 60971732
ethyl 2-[(4-ethylcyclohexyl)methylamino]acetate
CID 55025429
[4-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexyl]methanamine
CID 134168481
2-(cyclopropylmethylamino)-N-(4-ethylcyclohexyl)acetamide;hydrochloride
CID 119716167
1-(cyclopropylmethylamino)-4-methylidenehexan-2-one
CID 116557799
N-cycloheptyl-2-[(4-ethylcyclohexyl)methylamino]acetamide
CID 63492902
2-bromo-N-propylprop-2-en-1-amine
CID 60873947
ethane;1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 166157734

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine?
The IUPAC name of 2-bromo-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine (CID 60972483) is 2-bromo-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-bromo-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-bromo-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine is C=C(Br)CNCC1CCC(CC)CC1.
What is the InChIKey of 2-bromo-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine?
The InChIKey is LOUHUUZVDCUMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrN/c1-3-11-4-6-12(7-5-11)9-14-8-10(2)13/h11-12,14H,2-9H2,1H3.
What are the key properties of 2-bromo-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine?
2-bromo-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine has a molecular weight of 260.22 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 60972483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).