N-[2-methylidene-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methanimine

C14H21N — CID 155028532

IUPACN-[2-methylidene-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methanimine
SMILESC=NC1CCC(CCC=C(C)C)=CC1=C
InChIInChI=1S/C14H21N/c1-11(2)6-5-7-13-8-9-14(15-4)12(3)10-13/h6,10,14H,3-5,7-9H2,1-2H3
InChIKeyYIUOQEDPAMJBAQ-UHFFFAOYSA-N
MW203.33 g/mol
LogP4.08
Rot. Bonds4

About N-[2-methylidene-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methanimine

N-[2-methylidene-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methanimine (PubChem CID 155028532) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-[2-methylidene-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methanimine.

Molecular Properties

Compound NameN-[2-methylidene-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methanimine
PubChem CID155028532
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-[2-methylidene-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methanimine
SMILESC=NC1CCC(CCC=C(C)C)=CC1=C
InChIInChI=1S/C14H21N/c1-11(2)6-5-7-13-8-9-14(15-4)12(3)10-13/h6,10,14H,3-5,7-9H2,1-2H3
InChIKeyYIUOQEDPAMJBAQ-UHFFFAOYSA-N
XLogP4.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-methylidene-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methanimine?
The IUPAC name of N-[2-methylidene-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methanimine (CID 155028532) is N-[2-methylidene-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methanimine.
What is the SMILES notation for N-[2-methylidene-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methanimine?
The canonical SMILES for N-[2-methylidene-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methanimine is C=NC1CCC(CCC=C(C)C)=CC1=C.
What is the InChIKey of N-[2-methylidene-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methanimine?
The InChIKey is YIUOQEDPAMJBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-11(2)6-5-7-13-8-9-14(15-4)12(3)10-13/h6,10,14H,3-5,7-9H2,1-2H3.
What are the key properties of N-[2-methylidene-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methanimine?
N-[2-methylidene-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methanimine has a molecular weight of 203.33 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methylidene-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methanimine is sourced from PubChem (CID 155028532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).