N-[(4E)-3-methyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pentan-2-yl]propan-2-imine

C16H23N — CID 163913239

IUPACN-[(4E)-3-methyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pentan-2-yl]propan-2-imine
SMILESC=c1cccc/c1=C(/C)C(C)C(C)N=C(C)C
InChIInChI=1S/C16H23N/c1-11(2)17-15(6)13(4)14(5)16-10-8-7-9-12(16)3/h7-10,13,15H,3H2,1-2,4-6H3/b16-14+
InChIKeyQUAFMVZPWNRLPK-JQIJEIRASA-N
MW229.37 g/mol
LogP2.77
Rot. Bonds3

About N-[(4E)-3-methyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pentan-2-yl]propan-2-imine

N-[(4E)-3-methyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pentan-2-yl]propan-2-imine (PubChem CID 163913239) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-[(4E)-3-methyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pentan-2-yl]propan-2-imine.

Molecular Properties

Compound NameN-[(4E)-3-methyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pentan-2-yl]propan-2-imine
PubChem CID163913239
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-[(4E)-3-methyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pentan-2-yl]propan-2-imine
SMILESC=c1cccc/c1=C(/C)C(C)C(C)N=C(C)C
InChIInChI=1S/C16H23N/c1-11(2)17-15(6)13(4)14(5)16-10-8-7-9-12(16)3/h7-10,13,15H,3H2,1-2,4-6H3/b16-14+
InChIKeyQUAFMVZPWNRLPK-JQIJEIRASA-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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Related Compounds

(1Z)-N,N-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanamine
CID 144734414
(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-en-1-ol
CID 88885211
(5E)-5-[(Z)-1-bromo-2-methylhex-4-enylidene]-6-methylidenecyclohexa-1,3-diene
CID 170223486
N'-[(1Z)-2,2-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propyl]methanimidamide
CID 146342566
(5Z)-5-[1-(2-methoxycyclobuten-1-yl)ethylidene]-6-methylidenecyclohexa-1,3-diene
CID 135045326
(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propan-2-ol
CID 134983494
5,6-di(propan-2-ylidene)cyclohexa-1,3-diene;ethane
CID 143829864
(5Z)-5-(1-cyclohexyl-3-methylbut-2-enylidene)-6-methylidenecyclohexa-1,3-diene
CID 143116178
(2E,3E,5Z,7E)-7-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)nona-3,5,7-triene-4-thiol
CID 166826356
(6Z)-5-methylidene-6-[(E)-oct-4-en-3-ylidene]cyclohexa-1,3-diene
CID 142077418
cumene;hydrogen peroxide
CID 21225480
CID 102466319
CID 102466319

Frequently Asked Questions

What is the IUPAC name of N-[(4E)-3-methyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pentan-2-yl]propan-2-imine?
The IUPAC name of N-[(4E)-3-methyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pentan-2-yl]propan-2-imine (CID 163913239) is N-[(4E)-3-methyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pentan-2-yl]propan-2-imine.
What is the SMILES notation for N-[(4E)-3-methyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pentan-2-yl]propan-2-imine?
The canonical SMILES for N-[(4E)-3-methyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pentan-2-yl]propan-2-imine is C=c1cccc/c1=C(/C)C(C)C(C)N=C(C)C.
What is the InChIKey of N-[(4E)-3-methyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pentan-2-yl]propan-2-imine?
The InChIKey is QUAFMVZPWNRLPK-JQIJEIRASA-N. The full InChI is InChI=1S/C16H23N/c1-11(2)17-15(6)13(4)14(5)16-10-8-7-9-12(16)3/h7-10,13,15H,3H2,1-2,4-6H3/b16-14+.
What are the key properties of N-[(4E)-3-methyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pentan-2-yl]propan-2-imine?
N-[(4E)-3-methyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pentan-2-yl]propan-2-imine 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)-3-methyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pentan-2-yl]propan-2-imine is sourced from PubChem (CID 163913239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).