N-[(4E)-2,3,3-trimethyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pentan-2-yl]methanimine

C16H23N — CID 154991824

IUPACN-[(4E)-2,3,3-trimethyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pentan-2-yl]methanimine
SMILESC=NC(C)(C)C(C)(C)/C(C)=c1\ccccc1=C
InChIInChI=1S/C16H23N/c1-12-10-8-9-11-14(12)13(2)15(3,4)16(5,6)17-7/h8-11H,1,7H2,2-6H3/b14-13+
InChIKeyUFUMESKEFQCOAR-BUHFOSPRSA-N
MW229.37 g/mol
LogP2.77
Rot. Bonds3

About N-[(4E)-2,3,3-trimethyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pentan-2-yl]methanimine

N-[(4E)-2,3,3-trimethyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pentan-2-yl]methanimine (PubChem CID 154991824) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-[(4E)-2,3,3-trimethyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pentan-2-yl]methanimine.

Molecular Properties

Compound NameN-[(4E)-2,3,3-trimethyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pentan-2-yl]methanimine
PubChem CID154991824
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-[(4E)-2,3,3-trimethyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pentan-2-yl]methanimine
SMILESC=NC(C)(C)C(C)(C)/C(C)=c1\ccccc1=C
InChIInChI=1S/C16H23N/c1-12-10-8-9-11-14(12)13(2)15(3,4)16(5,6)17-7/h8-11H,1,7H2,2-6H3/b14-13+
InChIKeyUFUMESKEFQCOAR-BUHFOSPRSA-N
XLogP2.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4E)-2,3,3-trimethyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pentan-2-yl]methanimine?
The IUPAC name of N-[(4E)-2,3,3-trimethyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pentan-2-yl]methanimine (CID 154991824) is N-[(4E)-2,3,3-trimethyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pentan-2-yl]methanimine.
What is the SMILES notation for N-[(4E)-2,3,3-trimethyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pentan-2-yl]methanimine?
The canonical SMILES for N-[(4E)-2,3,3-trimethyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pentan-2-yl]methanimine is C=NC(C)(C)C(C)(C)/C(C)=c1\ccccc1=C.
What is the InChIKey of N-[(4E)-2,3,3-trimethyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pentan-2-yl]methanimine?
The InChIKey is UFUMESKEFQCOAR-BUHFOSPRSA-N. The full InChI is InChI=1S/C16H23N/c1-12-10-8-9-11-14(12)13(2)15(3,4)16(5,6)17-7/h8-11H,1,7H2,2-6H3/b14-13+.
What are the key properties of N-[(4E)-2,3,3-trimethyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pentan-2-yl]methanimine?
N-[(4E)-2,3,3-trimethyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pentan-2-yl]methanimine has a molecular weight of 229.37 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4E)-2,3,3-trimethyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pentan-2-yl]methanimine is sourced from PubChem (CID 154991824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).