(3-methyl-6-prop-1-enylcycloheptyl)methanimine

C12H21N — CID 123866977

IUPAC(3-methyl-6-prop-1-enylcycloheptyl)methanimine
SMILES[H]/N=C/C1CC(C)CCC(C=CC)C1
InChIInChI=1S/C12H21N/c1-3-4-11-6-5-10(2)7-12(8-11)9-13/h3-4,9-13H,5-8H2,1-2H3/b4-3?,13-9+
InChIKeyWSSFQJRTJIVENX-HJEPXLDOSA-N
MW179.31 g/mol
LogP3.65
Rot. Bonds2

About (3-methyl-6-prop-1-enylcycloheptyl)methanimine

(3-methyl-6-prop-1-enylcycloheptyl)methanimine (PubChem CID 123866977) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (3-methyl-6-prop-1-enylcycloheptyl)methanimine.

Molecular Properties

Compound Name(3-methyl-6-prop-1-enylcycloheptyl)methanimine
PubChem CID123866977
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(3-methyl-6-prop-1-enylcycloheptyl)methanimine
SMILES[H]/N=C/C1CC(C)CCC(C=CC)C1
InChIInChI=1S/C12H21N/c1-3-4-11-6-5-10(2)7-12(8-11)9-13/h3-4,9-13H,5-8H2,1-2H3/b4-3?,13-9+
InChIKeyWSSFQJRTJIVENX-HJEPXLDOSA-N
XLogP3.65
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3-methyl-6-prop-1-enylcycloheptyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyldec-3-en-1-imine
CID 57110449
(6Z,8Z)-4-propylundeca-6,8,10-trien-1-imine
CID 88960923
2-Cyclohex-2-en-1-ylethanimine
CID 89097602
2-(3,5-Dimethylcyclohex-3-en-1-yl)ethanimine
CID 89244763
2-(3,5-Dimethylcyclohex-3-en-1-yl)propan-1-imine
CID 89246740
(Z)-4-methyl-2-propylhex-4-en-1-imine
CID 89697919
[4-(4-Propylcyclohexyl)cyclohex-2-en-1-yl]methanimine
CID 90290766
(E)-N-(methylideneamino)-2-[(E)-pent-2-enyl]nonan-1-imine
CID 91002989
2-[(1Z)-4-ethyl-8-methylcycloocta-1,3-dien-1-yl]ethanimine
CID 91224376
2-[4-[2-(4-Methylcyclohexyl)ethenyl]cyclohexyl]ethanimine
CID 91567570
(E)-3,11-dimethyltetradec-2-en-1-imine
CID 118358413
(Z)-3-[(2S)-butan-2-yl]hex-4-en-1-imine
CID 118687334

Frequently Asked Questions

What is the IUPAC name of (3-methyl-6-prop-1-enylcycloheptyl)methanimine?
The IUPAC name of (3-methyl-6-prop-1-enylcycloheptyl)methanimine (CID 123866977) is (3-methyl-6-prop-1-enylcycloheptyl)methanimine.
What is the SMILES notation for (3-methyl-6-prop-1-enylcycloheptyl)methanimine?
The canonical SMILES for (3-methyl-6-prop-1-enylcycloheptyl)methanimine is [H]/N=C/C1CC(C)CCC(C=CC)C1.
What is the InChIKey of (3-methyl-6-prop-1-enylcycloheptyl)methanimine?
The InChIKey is WSSFQJRTJIVENX-HJEPXLDOSA-N. The full InChI is InChI=1S/C12H21N/c1-3-4-11-6-5-10(2)7-12(8-11)9-13/h3-4,9-13H,5-8H2,1-2H3/b4-3?,13-9+.
What are the key properties of (3-methyl-6-prop-1-enylcycloheptyl)methanimine?
(3-methyl-6-prop-1-enylcycloheptyl)methanimine has a molecular weight of 179.31 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-6-prop-1-enylcycloheptyl)methanimine is sourced from PubChem (CID 123866977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).