N-(2-bromoethyl)-N-(3,3-dimethylbutyl)cyclohexanamine

C14H28BrN — CID 80674486

IUPACN-(2-bromoethyl)-N-(3,3-dimethylbutyl)cyclohexanamine
SMILESCC(C)(C)CCN(CCBr)C1CCCCC1
InChIInChI=1S/C14H28BrN/c1-14(2,3)9-11-16(12-10-15)13-7-5-4-6-8-13/h13H,4-12H2,1-3H3
InChIKeyDDGQVOQXXJMIMK-UHFFFAOYSA-N
MW290.29 g/mol
LogP4.45
Rot. Bonds5

About N-(2-bromoethyl)-N-(3,3-dimethylbutyl)cyclohexanamine

N-(2-bromoethyl)-N-(3,3-dimethylbutyl)cyclohexanamine (PubChem CID 80674486) has the molecular formula C14H28BrN and a molecular weight of 290.29 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(3,3-dimethylbutyl)cyclohexanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(3,3-dimethylbutyl)cyclohexanamine
PubChem CID80674486
Molecular FormulaC14H28BrN
Molecular Weight290.29 g/mol
Exact Mass289.14
IUPAC NameN-(2-bromoethyl)-N-(3,3-dimethylbutyl)cyclohexanamine
SMILESCC(C)(C)CCN(CCBr)C1CCCCC1
InChIInChI=1S/C14H28BrN/c1-14(2,3)9-11-16(12-10-15)13-7-5-4-6-8-13/h13H,4-12H2,1-3H3
InChIKeyDDGQVOQXXJMIMK-UHFFFAOYSA-N
XLogP4.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[cyclobutyl(3,3-dimethylbutyl)amino]ethanol
CID 102676970
N'-(2-bromoethyl)-N'-cyclobutyl-N,N-dimethylethane-1,2-diamine
CID 102861077
N-(2-bromoethyl)-N-(2-cyclopropylethyl)cyclobutanamine
CID 102860767
N'-(2-bromoethyl)-N'-cyclopentyl-N,N-dimethylpropane-1,3-diamine
CID 114526677
N-(2-bromoethyl)-N-[(E)-but-2-enyl]cyclohexanamine
CID 107897735
N-(2-bromoethyl)-N-(2-fluoroethyl)cyclobutanamine
CID 102860754
N-(2-bromoethyl)-N-pentylcyclobutanamine
CID 102860969
N-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexanamine
CID 104567265
N-(2-bromoethyl)-N-(cyclobutylmethyl)cyclopentanamine
CID 80672742
N-(2-bromoethyl)-N-dodecylcyclobutanamine
CID 102860890
N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclopentanamine
CID 106731144
N-(2-bromoethyl)-N-(2-pyrrolidin-1-ylethyl)cyclopentanamine
CID 107913798

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(3,3-dimethylbutyl)cyclohexanamine?
The IUPAC name of N-(2-bromoethyl)-N-(3,3-dimethylbutyl)cyclohexanamine (CID 80674486) is N-(2-bromoethyl)-N-(3,3-dimethylbutyl)cyclohexanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-(3,3-dimethylbutyl)cyclohexanamine?
The canonical SMILES for N-(2-bromoethyl)-N-(3,3-dimethylbutyl)cyclohexanamine is CC(C)(C)CCN(CCBr)C1CCCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-(3,3-dimethylbutyl)cyclohexanamine?
The InChIKey is DDGQVOQXXJMIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28BrN/c1-14(2,3)9-11-16(12-10-15)13-7-5-4-6-8-13/h13H,4-12H2,1-3H3.
What are the key properties of N-(2-bromoethyl)-N-(3,3-dimethylbutyl)cyclohexanamine?
N-(2-bromoethyl)-N-(3,3-dimethylbutyl)cyclohexanamine has a molecular weight of 290.29 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(3,3-dimethylbutyl)cyclohexanamine is sourced from PubChem (CID 80674486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).