N-(3-bromo-2,2-dimethylpropyl)-4-ethyl-N-methylcyclohexan-1-amine

C14H28BrN — CID 65000192

IUPACN-(3-bromo-2,2-dimethylpropyl)-4-ethyl-N-methylcyclohexan-1-amine
SMILESCCC1CCC(N(C)CC(C)(C)CBr)CC1
InChIInChI=1S/C14H28BrN/c1-5-12-6-8-13(9-7-12)16(4)11-14(2,3)10-15/h12-13H,5-11H2,1-4H3
InChIKeyDVLHVDXNNYWTQC-UHFFFAOYSA-N
MW290.29 g/mol
LogP4.31
Rot. Bonds5

About N-(3-bromo-2,2-dimethylpropyl)-4-ethyl-N-methylcyclohexan-1-amine

N-(3-bromo-2,2-dimethylpropyl)-4-ethyl-N-methylcyclohexan-1-amine (PubChem CID 65000192) has the molecular formula C14H28BrN and a molecular weight of 290.29 g/mol. Its IUPAC name is N-(3-bromo-2,2-dimethylpropyl)-4-ethyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-bromo-2,2-dimethylpropyl)-4-ethyl-N-methylcyclohexan-1-amine
PubChem CID65000192
Molecular FormulaC14H28BrN
Molecular Weight290.29 g/mol
Exact Mass289.14
IUPAC NameN-(3-bromo-2,2-dimethylpropyl)-4-ethyl-N-methylcyclohexan-1-amine
SMILESCCC1CCC(N(C)CC(C)(C)CBr)CC1
InChIInChI=1S/C14H28BrN/c1-5-12-6-8-13(9-7-12)16(4)11-14(2,3)10-15/h12-13H,5-11H2,1-4H3
InChIKeyDVLHVDXNNYWTQC-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
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-amino-3-[(4-ethylcyclohexyl)-methylamino]-2-methylpropan-1-ol
CID 64826223
2-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methylbutanal
CID 62277389
2,2-diethyl-N'-(4-ethylcyclohexyl)-N'-methylpropane-1,3-diamine
CID 62260394
methyl 3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanoate
CID 79621216
3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanehydrazide
CID 79631547
N-butyl-4-ethyl-N-methylcyclohexan-1-amine;ethane
CID 155582825
N-cyclopropyl-2,2-diethyl-N'-(4-ethylcyclohexyl)-N'-methylpropane-1,3-diamine
CID 63494314
4-ethyl-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 155402155
ethane;ethylcyclopropane
CID 91380076
2-cyclopropyl-2-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]propan-1-ol
CID 64826221
N-(3-bromo-2,2-dimethylpropyl)-N-cyclohexylcyclohexanamine
CID 65000034
3-[(4-ethylcyclohexyl)-methylamino]propanenitrile
CID 61450909

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2,2-dimethylpropyl)-4-ethyl-N-methylcyclohexan-1-amine?
The IUPAC name of N-(3-bromo-2,2-dimethylpropyl)-4-ethyl-N-methylcyclohexan-1-amine (CID 65000192) is N-(3-bromo-2,2-dimethylpropyl)-4-ethyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for N-(3-bromo-2,2-dimethylpropyl)-4-ethyl-N-methylcyclohexan-1-amine?
The canonical SMILES for N-(3-bromo-2,2-dimethylpropyl)-4-ethyl-N-methylcyclohexan-1-amine is CCC1CCC(N(C)CC(C)(C)CBr)CC1.
What is the InChIKey of N-(3-bromo-2,2-dimethylpropyl)-4-ethyl-N-methylcyclohexan-1-amine?
The InChIKey is DVLHVDXNNYWTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28BrN/c1-5-12-6-8-13(9-7-12)16(4)11-14(2,3)10-15/h12-13H,5-11H2,1-4H3.
What are the key properties of N-(3-bromo-2,2-dimethylpropyl)-4-ethyl-N-methylcyclohexan-1-amine?
N-(3-bromo-2,2-dimethylpropyl)-4-ethyl-N-methylcyclohexan-1-amine has a molecular weight of 290.29 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2,2-dimethylpropyl)-4-ethyl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 65000192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).