1-(cyclohexen-1-yl)-N-ethyl-2,2-dimethylbutan-1-amine

C14H27N — CID 62680127

IUPAC1-(cyclohexen-1-yl)-N-ethyl-2,2-dimethylbutan-1-amine
SMILESCCNC(C1=CCCCC1)C(C)(C)CC
InChIInChI=1S/C14H27N/c1-5-14(3,4)13(15-6-2)12-10-8-7-9-11-12/h10,13,15H,5-9,11H2,1-4H3
InChIKeyJWVQFYQRNVVSLC-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.90
Rot. Bonds5

About 1-(cyclohexen-1-yl)-N-ethyl-2,2-dimethylbutan-1-amine

1-(cyclohexen-1-yl)-N-ethyl-2,2-dimethylbutan-1-amine (PubChem CID 62680127) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-ethyl-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-ethyl-2,2-dimethylbutan-1-amine
PubChem CID62680127
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name1-(cyclohexen-1-yl)-N-ethyl-2,2-dimethylbutan-1-amine
SMILESCCNC(C1=CCCCC1)C(C)(C)CC
InChIInChI=1S/C14H27N/c1-5-14(3,4)13(15-6-2)12-10-8-7-9-11-12/h10,13,15H,5-9,11H2,1-4H3
InChIKeyJWVQFYQRNVVSLC-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(cycloocten-1-yl)-N,2-diethyl-2-methoxybutan-1-amine
CID 106654576
1-(cyclohexen-1-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 106653615
1-(cyclohepten-1-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 106653614
1-(cyclohepten-1-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine
CID 79660803
1-(cyclohexen-1-yl)-N-ethyl-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 106653578
N-[cyclobutyl(cyclohexen-1-yl)methyl]ethanamine
CID 62079771
1-(cyclohexen-1-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 106654559
1-(cyclohepten-1-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 106654542
1-(cyclohepten-1-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 106657027
1-(cyclohexen-1-yl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
CID 106654512
1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 106654544
[1-(cyclohepten-1-yl)-2,2-dimethylpropyl]hydrazine
CID 106648666

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-2,2-dimethylbutan-1-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-2,2-dimethylbutan-1-amine (CID 62680127) is 1-(cyclohexen-1-yl)-N-ethyl-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-ethyl-2,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-ethyl-2,2-dimethylbutan-1-amine is CCNC(C1=CCCCC1)C(C)(C)CC.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-ethyl-2,2-dimethylbutan-1-amine?
The InChIKey is JWVQFYQRNVVSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-5-14(3,4)13(15-6-2)12-10-8-7-9-11-12/h10,13,15H,5-9,11H2,1-4H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-ethyl-2,2-dimethylbutan-1-amine?
1-(cyclohexen-1-yl)-N-ethyl-2,2-dimethylbutan-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-N-ethyl-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 62680127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).