1-(3-bicyclo[3.1.0]hexanyl)-4-methylpent-4-en-1-amine

C12H21N — CID 105039579

IUPAC1-(3-bicyclo[3.1.0]hexanyl)-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(N)C1CC2CC2C1
InChIInChI=1S/C12H21N/c1-8(2)3-4-12(13)11-6-9-5-10(9)7-11/h9-12H,1,3-7,13H2,2H3
InChIKeyCTZXYFKUFUURFR-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.72
Rot. Bonds4

About 1-(3-bicyclo[3.1.0]hexanyl)-4-methylpent-4-en-1-amine

1-(3-bicyclo[3.1.0]hexanyl)-4-methylpent-4-en-1-amine (PubChem CID 105039579) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)-4-methylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)-4-methylpent-4-en-1-amine
PubChem CID105039579
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(N)C1CC2CC2C1
InChIInChI=1S/C12H21N/c1-8(2)3-4-12(13)11-6-9-5-10(9)7-11/h9-12H,1,3-7,13H2,2H3
InChIKeyCTZXYFKUFUURFR-UHFFFAOYSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.72
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

4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-amine
CID 114475823
4-methyl-1-(oxan-4-yl)pent-4-en-1-amine
CID 114474933
4-methyl-1-(2-methylcyclopentyl)pent-4-en-1-amine
CID 107190922
1-(3-bicyclo[3.1.0]hexanyl)-3-methylbut-3-en-1-ol
CID 115816829
6-methylhept-6-en-3-amine
CID 89243580
(1-cyclobutyl-5-methylhex-5-en-2-yl)hydrazine
CID 103170793
4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-ol
CID 114474025
1-[(1S,3R)-3-ethenylcyclohexyl]-4-methylpent-4-en-1-ol
CID 11608159
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpent-4-en-1-amine
CID 114474946
1-(2,3-dihydro-1-benzofuran-3-yl)-4-methylpent-4-en-1-amine
CID 114475780
1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylcyclobutyl)ethanamine
CID 130602111
1-N,1-N,5-trimethylhex-5-ene-1,2-diamine
CID 114475319

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-4-methylpent-4-en-1-amine?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-4-methylpent-4-en-1-amine (CID 105039579) is 1-(3-bicyclo[3.1.0]hexanyl)-4-methylpent-4-en-1-amine.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)-4-methylpent-4-en-1-amine?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)-4-methylpent-4-en-1-amine is C=C(C)CCC(N)C1CC2CC2C1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)-4-methylpent-4-en-1-amine?
The InChIKey is CTZXYFKUFUURFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-8(2)3-4-12(13)11-6-9-5-10(9)7-11/h9-12H,1,3-7,13H2,2H3.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)-4-methylpent-4-en-1-amine?
1-(3-bicyclo[3.1.0]hexanyl)-4-methylpent-4-en-1-amine has a molecular weight of 179.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)-4-methylpent-4-en-1-amine is sourced from PubChem (CID 105039579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).