4-(4-fluoro-2-imino-3-methylhept-6-enyl)cyclohexan-1-amine

C14H25FN2 — CID 134429981

IUPAC4-(4-fluoro-2-imino-3-methylhept-6-enyl)cyclohexan-1-amine
SMILES[H]/N=C(/CC1CCC(N)CC1)C(C)C(F)CC=C
InChIInChI=1S/C14H25FN2/c1-3-4-13(15)10(2)14(17)9-11-5-7-12(16)8-6-11/h3,10-13,17H,1,4-9,16H2,2H3/b17-14-
InChIKeyMRYIQWFIADMNAY-VKAVYKQESA-N
MW240.37 g/mol
LogP3.46
Rot. Bonds6

About 4-(4-fluoro-2-imino-3-methylhept-6-enyl)cyclohexan-1-amine

4-(4-fluoro-2-imino-3-methylhept-6-enyl)cyclohexan-1-amine (PubChem CID 134429981) has the molecular formula C14H25FN2 and a molecular weight of 240.37 g/mol. Its IUPAC name is 4-(4-fluoro-2-imino-3-methylhept-6-enyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(4-fluoro-2-imino-3-methylhept-6-enyl)cyclohexan-1-amine
PubChem CID134429981
Molecular FormulaC14H25FN2
Molecular Weight240.37 g/mol
Exact Mass240.20
IUPAC Name4-(4-fluoro-2-imino-3-methylhept-6-enyl)cyclohexan-1-amine
SMILES[H]/N=C(/CC1CCC(N)CC1)C(C)C(F)CC=C
InChIInChI=1S/C14H25FN2/c1-3-4-13(15)10(2)14(17)9-11-5-7-12(16)8-6-11/h3,10-13,17H,1,4-9,16H2,2H3/b17-14-
InChIKeyMRYIQWFIADMNAY-VKAVYKQESA-N
XLogP3.46
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-fluoro-2-imino-3-methylhept-6-enyl)cyclohexan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-imino-3-methylhept-6-enyl)cyclohexan-1-amine?
The IUPAC name of 4-(4-fluoro-2-imino-3-methylhept-6-enyl)cyclohexan-1-amine (CID 134429981) is 4-(4-fluoro-2-imino-3-methylhept-6-enyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(4-fluoro-2-imino-3-methylhept-6-enyl)cyclohexan-1-amine?
The canonical SMILES for 4-(4-fluoro-2-imino-3-methylhept-6-enyl)cyclohexan-1-amine is [H]/N=C(/CC1CCC(N)CC1)C(C)C(F)CC=C.
What is the InChIKey of 4-(4-fluoro-2-imino-3-methylhept-6-enyl)cyclohexan-1-amine?
The InChIKey is MRYIQWFIADMNAY-VKAVYKQESA-N. The full InChI is InChI=1S/C14H25FN2/c1-3-4-13(15)10(2)14(17)9-11-5-7-12(16)8-6-11/h3,10-13,17H,1,4-9,16H2,2H3/b17-14-.
What are the key properties of 4-(4-fluoro-2-imino-3-methylhept-6-enyl)cyclohexan-1-amine?
4-(4-fluoro-2-imino-3-methylhept-6-enyl)cyclohexan-1-amine has a molecular weight of 240.37 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-imino-3-methylhept-6-enyl)cyclohexan-1-amine is sourced from PubChem (CID 134429981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).