1-(cyclohexen-1-yl)-N-ethyl-3-methylbut-3-en-2-amine

C13H23N — CID 116661717

IUPAC1-(cyclohexen-1-yl)-N-ethyl-3-methylbut-3-en-2-amine
SMILESC=C(C)C(CC1=CCCCC1)NCC
InChIInChI=1S/C13H23N/c1-4-14-13(11(2)3)10-12-8-6-5-7-9-12/h8,13-14H,2,4-7,9-10H2,1,3H3
InChIKeyRBLRYQDOKSNRAV-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.43
Rot. Bonds5

About 1-(cyclohexen-1-yl)-N-ethyl-3-methylbut-3-en-2-amine

1-(cyclohexen-1-yl)-N-ethyl-3-methylbut-3-en-2-amine (PubChem CID 116661717) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-ethyl-3-methylbut-3-en-2-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-ethyl-3-methylbut-3-en-2-amine
PubChem CID116661717
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1-(cyclohexen-1-yl)-N-ethyl-3-methylbut-3-en-2-amine
SMILESC=C(C)C(CC1=CCCCC1)NCC
InChIInChI=1S/C13H23N/c1-4-14-13(11(2)3)10-12-8-6-5-7-9-12/h8,13-14H,2,4-7,9-10H2,1,3H3
InChIKeyRBLRYQDOKSNRAV-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.43
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-(3,4-dimethylpent-4-enyl)cyclohexene
CID 143128247
1-(cyclohexen-1-yl)-5-methyl-N-propylhex-5-en-2-amine
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1-(cyclohexen-1-yl)-N-ethyl-4-methylhexan-2-amine
CID 116661870
1-(cyclohexen-1-yl)-N,5-dimethylhex-5-en-2-amine
CID 114475921
1-(cyclohexen-1-yl)-N-ethylundecan-2-amine
CID 116661766
N-(cyclohepten-1-ylmethyl)propan-2-amine
CID 106653004
1-(cyclohexen-1-yl)-N-ethyl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 116661714
3-(cyclohexen-1-yl)-2-methylpropanoic acid
CID 54053706
1-(cyclohexen-1-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 116661927
2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine
CID 116661734
1-(cyclohexen-1-yl)-2-deuteriopropan-2-ol
CID 12622752
2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 116661833

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-3-methylbut-3-en-2-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-3-methylbut-3-en-2-amine (CID 116661717) is 1-(cyclohexen-1-yl)-N-ethyl-3-methylbut-3-en-2-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-ethyl-3-methylbut-3-en-2-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-ethyl-3-methylbut-3-en-2-amine is C=C(C)C(CC1=CCCCC1)NCC.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-ethyl-3-methylbut-3-en-2-amine?
The InChIKey is RBLRYQDOKSNRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-4-14-13(11(2)3)10-12-8-6-5-7-9-12/h8,13-14H,2,4-7,9-10H2,1,3H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-ethyl-3-methylbut-3-en-2-amine?
1-(cyclohexen-1-yl)-N-ethyl-3-methylbut-3-en-2-amine has a molecular weight of 193.33 g/mol, XLogP of 3.43, 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-3-methylbut-3-en-2-amine is sourced from PubChem (CID 116661717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).