N'-[(1Z)-2,2-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propyl]methanimidamide

C13H18N2 — CID 146342566

IUPACN'-[(1Z)-2,2-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propyl]methanimidamide
SMILESC=c1cccc/c1=C(/N=C/N)C(C)(C)C
InChIInChI=1S/C13H18N2/c1-10-7-5-6-8-11(10)12(15-9-14)13(2,3)4/h5-9H,1H2,2-4H3,(H2,14,15)/b12-11-
InChIKeyXPIWDVNANVYHNJ-QXMHVHEDSA-N
MW202.30 g/mol
LogP1.24
Rot. Bonds1

About N'-[(1Z)-2,2-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propyl]methanimidamide

N'-[(1Z)-2,2-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propyl]methanimidamide (PubChem CID 146342566) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N'-[(1Z)-2,2-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propyl]methanimidamide.

Molecular Properties

Compound NameN'-[(1Z)-2,2-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propyl]methanimidamide
PubChem CID146342566
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN'-[(1Z)-2,2-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propyl]methanimidamide
SMILESC=c1cccc/c1=C(/N=C/N)C(C)(C)C
InChIInChI=1S/C13H18N2/c1-10-7-5-6-8-11(10)12(15-9-14)13(2,3)4/h5-9H,1H2,2-4H3,(H2,14,15)/b12-11-
InChIKeyXPIWDVNANVYHNJ-QXMHVHEDSA-N
XLogP1.24
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-en-1-ol
CID 88885211
(1Z)-N,N-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanamine
CID 144734414
(6Z)-5-methylidene-6-[(E)-oct-4-en-3-ylidene]cyclohexa-1,3-diene
CID 142077418
N-(aminomethylidene)benzamide
CID 55287210
(E,1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-ene-1,3-disulfonic acid
CID 166683104
(Z,5Z)-2-methyl-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-2-amine
CID 89200532
(2E,3E,5Z,7E)-7-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)nona-3,5,7-triene-4-thiol
CID 166826356
(5Z)-5-(1-cyclohexyl-3-methylbut-2-enylidene)-6-methylidenecyclohexa-1,3-diene
CID 143116178
ethenamine;prop-1-en-2-ylbenzene
CID 172805831
(Z)-[(6Z)-6-[1-(methylideneamino)propylidene]cyclohexa-2,4-dien-1-ylidene]methanamine
CID 88995130
3-methyl-4-[4-[[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propoxy]methyl]phenoxy]pent-1-ene-3-thiol
CID 167167614
2,2-dimethylpropane;naphthalene
CID 91188461

Frequently Asked Questions

What is the IUPAC name of N'-[(1Z)-2,2-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propyl]methanimidamide?
The IUPAC name of N'-[(1Z)-2,2-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propyl]methanimidamide (CID 146342566) is N'-[(1Z)-2,2-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propyl]methanimidamide.
What is the SMILES notation for N'-[(1Z)-2,2-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propyl]methanimidamide?
The canonical SMILES for N'-[(1Z)-2,2-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propyl]methanimidamide is C=c1cccc/c1=C(/N=C/N)C(C)(C)C.
What is the InChIKey of N'-[(1Z)-2,2-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propyl]methanimidamide?
The InChIKey is XPIWDVNANVYHNJ-QXMHVHEDSA-N. The full InChI is InChI=1S/C13H18N2/c1-10-7-5-6-8-11(10)12(15-9-14)13(2,3)4/h5-9H,1H2,2-4H3,(H2,14,15)/b12-11-.
What are the key properties of N'-[(1Z)-2,2-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propyl]methanimidamide?
N'-[(1Z)-2,2-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propyl]methanimidamide has a molecular weight of 202.30 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1Z)-2,2-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propyl]methanimidamide is sourced from PubChem (CID 146342566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).