5-methyl-N-(4-methylhex-1-en-3-yl)-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine

C14H22N2 — CID 123861376

IUPAC5-methyl-N-(4-methylhex-1-en-3-yl)-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine
SMILESC=CC(NC1=NC2CC2C(C)=C1)C(C)CC
InChIInChI=1S/C14H22N2/c1-5-9(3)12(6-2)15-14-7-10(4)11-8-13(11)16-14/h6-7,9,11-13H,2,5,8H2,1,3-4H3,(H,15,16)
InChIKeyJCIAZQTZWIRJOI-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.92
Rot. Bonds4

About 5-methyl-N-(4-methylhex-1-en-3-yl)-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine

5-methyl-N-(4-methylhex-1-en-3-yl)-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine (PubChem CID 123861376) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 5-methyl-N-(4-methylhex-1-en-3-yl)-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine.

Molecular Properties

Compound Name5-methyl-N-(4-methylhex-1-en-3-yl)-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine
PubChem CID123861376
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name5-methyl-N-(4-methylhex-1-en-3-yl)-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine
SMILESC=CC(NC1=NC2CC2C(C)=C1)C(C)CC
InChIInChI=1S/C14H22N2/c1-5-9(3)12(6-2)15-14-7-10(4)11-8-13(11)16-14/h6-7,9,11-13H,2,5,8H2,1,3-4H3,(H,15,16)
InChIKeyJCIAZQTZWIRJOI-UHFFFAOYSA-N
XLogP2.92
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methyl-N-(4-methylhex-1-en-3-yl)-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine with MolForge

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Related Compounds

N-(2-fluoro-6-methylcyclohex-2-en-1-yl)-N'-methylethanimidamide
CID 164080820
N-(1-cyclopropylidene-3-methylpentyl)-2,3-dihydropyridin-6-amine
CID 123649739
N'-butyl-6-methyl-N-propan-2-ylcyclohexa-1,3-diene-1-carboximidamide
CID 124013843
2-cyclopropyl-N-methyl-1,2-dihydropyrrol-5-imine
CID 137382985
ethane;5-methyl-N,N-dipropyl-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine
CID 142266467
(Z)-N,N'-dimethyl-4-piperidin-4-ylbut-2-enimidamide
CID 144744633
1-methyl-N-(2-methylpropyl)-2-azabicyclo[5.1.0]oct-4-en-3-imine
CID 155030454
8-methyl-4-propan-2-yl-3,4,8,9-tetrahydro-2H-pyrido[2,3-b]azepine;molecular hydrogen
CID 157035296
2-ethyl-6-methyl-4-(6-methylcyclohexa-1,3-dien-1-yl)-6,7-dihydro-3H-1,3,5-triazepine
CID 163735879
(1R,10Z)-8-ethyl-6-methylidene-2,4-diazabicyclo[10.1.0]trideca-3,10-diene
CID 166649943
N',3-dimethyl-N-[(E)-oct-4-en-3-yl]pentanimidamide
CID 173662507
(6S)-5-ethyl-6-methyl-2-[(2E,4R)-4-methylhepta-2,6-dienyl]-1,4,5,6-tetrahydropyrimidine
CID 174363724

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-methylhex-1-en-3-yl)-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine?
The IUPAC name of 5-methyl-N-(4-methylhex-1-en-3-yl)-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine (CID 123861376) is 5-methyl-N-(4-methylhex-1-en-3-yl)-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine.
What is the SMILES notation for 5-methyl-N-(4-methylhex-1-en-3-yl)-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine?
The canonical SMILES for 5-methyl-N-(4-methylhex-1-en-3-yl)-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine is C=CC(NC1=NC2CC2C(C)=C1)C(C)CC.
What is the InChIKey of 5-methyl-N-(4-methylhex-1-en-3-yl)-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine?
The InChIKey is JCIAZQTZWIRJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-5-9(3)12(6-2)15-14-7-10(4)11-8-13(11)16-14/h6-7,9,11-13H,2,5,8H2,1,3-4H3,(H,15,16).
What are the key properties of 5-methyl-N-(4-methylhex-1-en-3-yl)-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine?
5-methyl-N-(4-methylhex-1-en-3-yl)-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine has a molecular weight of 218.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-methylhex-1-en-3-yl)-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine is sourced from PubChem (CID 123861376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).