N-[(Z)-4-methylpent-2-enyl]bicyclo[5.1.0]octa-1(8),2,7-trien-3-amine

C14H19N — CID 134224990

IUPACN-[(Z)-4-methylpent-2-enyl]bicyclo[5.1.0]octa-1(8),2,7-trien-3-amine
SMILESCC(C)/C=C\CNC1=CC2=C=C2CCC1
InChIInChI=1S/C14H19N/c1-11(2)5-4-8-15-14-7-3-6-12-9-13(12)10-14/h4-5,10-11,15H,3,6-8H2,1-2H3/b5-4-
InChIKeyUXMWHRNDKPQJAS-PLNGDYQASA-N
MW201.31 g/mol
LogP3.32
Rot. Bonds4

About N-[(Z)-4-methylpent-2-enyl]bicyclo[5.1.0]octa-1(8),2,7-trien-3-amine

N-[(Z)-4-methylpent-2-enyl]bicyclo[5.1.0]octa-1(8),2,7-trien-3-amine (PubChem CID 134224990) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is N-[(Z)-4-methylpent-2-enyl]bicyclo[5.1.0]octa-1(8),2,7-trien-3-amine.

Molecular Properties

Compound NameN-[(Z)-4-methylpent-2-enyl]bicyclo[5.1.0]octa-1(8),2,7-trien-3-amine
PubChem CID134224990
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC NameN-[(Z)-4-methylpent-2-enyl]bicyclo[5.1.0]octa-1(8),2,7-trien-3-amine
SMILESCC(C)/C=C\CNC1=CC2=C=C2CCC1
InChIInChI=1S/C14H19N/c1-11(2)5-4-8-15-14-7-3-6-12-9-13(12)10-14/h4-5,10-11,15H,3,6-8H2,1-2H3/b5-4-
InChIKeyUXMWHRNDKPQJAS-PLNGDYQASA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(Z)-4-methylpent-2-enyl]bicyclo[5.1.0]octa-1(8),2,7-trien-3-amine with MolForge

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Related Compounds

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(3Z)-N-propan-2-yl-3-prop-2-enylidenecyclohexen-1-amine
CID 134948808
1,2,3,4,5,6-Hexahydrocyclopenta[b]azepine
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7-(cyclohepten-1-yl)-2,3,4,5-tetrahydro-1H-azepine
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2,3,4,5,6,7-hexahydro-1H-1-benzazepine
CID 66872411
2-hexyl-1H-azepine
CID 68116976
N-ethyl-2-methyl-6-methylidenecyclohexen-1-amine
CID 68375539
2,3,4,5-tetrahydro-1H-cyclohepta[b]pyridine
CID 70302287
7-cyclohepta-1,3-dien-1-yl-2,3-dihydro-1H-azepine
CID 87166617
(1Z,3Z)-9-azabicyclo[6.5.0]trideca-1,3,6,7-tetraene
CID 88564023
2-methyl-N-[(3E,5Z)-3-methylocta-3,5,7-trien-2-yl]cyclohepta-1,3-dien-1-amine
CID 88892135
(5E,7E)-N-ethyl-8-(2-ethylcyclopropen-1-yl)deca-5,7,9-trien-5-amine
CID 89067155

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-methylpent-2-enyl]bicyclo[5.1.0]octa-1(8),2,7-trien-3-amine?
The IUPAC name of N-[(Z)-4-methylpent-2-enyl]bicyclo[5.1.0]octa-1(8),2,7-trien-3-amine (CID 134224990) is N-[(Z)-4-methylpent-2-enyl]bicyclo[5.1.0]octa-1(8),2,7-trien-3-amine.
What is the SMILES notation for N-[(Z)-4-methylpent-2-enyl]bicyclo[5.1.0]octa-1(8),2,7-trien-3-amine?
The canonical SMILES for N-[(Z)-4-methylpent-2-enyl]bicyclo[5.1.0]octa-1(8),2,7-trien-3-amine is CC(C)/C=C\CNC1=CC2=C=C2CCC1.
What is the InChIKey of N-[(Z)-4-methylpent-2-enyl]bicyclo[5.1.0]octa-1(8),2,7-trien-3-amine?
The InChIKey is UXMWHRNDKPQJAS-PLNGDYQASA-N. The full InChI is InChI=1S/C14H19N/c1-11(2)5-4-8-15-14-7-3-6-12-9-13(12)10-14/h4-5,10-11,15H,3,6-8H2,1-2H3/b5-4-.
What are the key properties of N-[(Z)-4-methylpent-2-enyl]bicyclo[5.1.0]octa-1(8),2,7-trien-3-amine?
N-[(Z)-4-methylpent-2-enyl]bicyclo[5.1.0]octa-1(8),2,7-trien-3-amine has a molecular weight of 201.31 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-methylpent-2-enyl]bicyclo[5.1.0]octa-1(8),2,7-trien-3-amine is sourced from PubChem (CID 134224990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).