N',2-dimethyl-N-(6-methylcyclohexa-2,4-dien-1-ylidene)propanimidamide

C12H18N2 — CID 156793504

IUPACN',2-dimethyl-N-(6-methylcyclohexa-2,4-dien-1-ylidene)propanimidamide
SMILESC/N=C(/N=C1\C=CC=CC1C)C(C)C
InChIInChI=1S/C12H18N2/c1-9(2)12(13-4)14-11-8-6-5-7-10(11)3/h5-10H,1-4H3/b13-12+,14-11+
InChIKeyLCBFUBXCGQWIGI-UIGAKZAYSA-N
MW190.29 g/mol
LogP2.87
Rot. Bonds1

About N',2-dimethyl-N-(6-methylcyclohexa-2,4-dien-1-ylidene)propanimidamide

N',2-dimethyl-N-(6-methylcyclohexa-2,4-dien-1-ylidene)propanimidamide (PubChem CID 156793504) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N',2-dimethyl-N-(6-methylcyclohexa-2,4-dien-1-ylidene)propanimidamide.

Molecular Properties

Compound NameN',2-dimethyl-N-(6-methylcyclohexa-2,4-dien-1-ylidene)propanimidamide
PubChem CID156793504
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN',2-dimethyl-N-(6-methylcyclohexa-2,4-dien-1-ylidene)propanimidamide
SMILESC/N=C(/N=C1\C=CC=CC1C)C(C)C
InChIInChI=1S/C12H18N2/c1-9(2)12(13-4)14-11-8-6-5-7-10(11)3/h5-10H,1-4H3/b13-12+,14-11+
InChIKeyLCBFUBXCGQWIGI-UIGAKZAYSA-N
XLogP2.87
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.87
H-Bond Donors ≤ 50
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

5-ethylidene-6-methylcyclohexa-1,3-diene
CID 123649762
2-(2,3-dimethylcyclobutyl)-N-methylhexan-3-imine
CID 123705318
3-methylcyclohepta-1,4,6-trien-1-ol
CID 18714791
(E,4Z)-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-3-amine
CID 167045938
(2,3-dimethylcyclohepta-1,4,6-trien-1-yl)-hydroxy-oxo-sulfanylidene-λ6-sulfane
CID 123330518
2-methoxycarbonyl-7-methylcyclohepta-1,3,5-triene-1-carboxylic acid
CID 91197668
5-diazo-6-methylcyclohexa-1,3-diene;pentan-3-one
CID 174721318
1-methylimino-2-(6-methyliminocyclohexa-2,4-dien-1-yl)propan-2-ol
CID 102297237
ethane;5-methylcyclopenta-1,3-diene
CID 91295870
4-methyl-2,4-dihydrocyclohepta[d]triazole
CID 143207550
(7R)-1-[(1R)-1-methoxyethyl]-7-methylcyclohepta-1,3,5-triene
CID 59910093
N-[(2S)-2-(5-methylcyclohepta-1,3,6-trien-1-yl)propyl]methanimine
CID 154694138

Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-N-(6-methylcyclohexa-2,4-dien-1-ylidene)propanimidamide?
The IUPAC name of N',2-dimethyl-N-(6-methylcyclohexa-2,4-dien-1-ylidene)propanimidamide (CID 156793504) is N',2-dimethyl-N-(6-methylcyclohexa-2,4-dien-1-ylidene)propanimidamide.
What is the SMILES notation for N',2-dimethyl-N-(6-methylcyclohexa-2,4-dien-1-ylidene)propanimidamide?
The canonical SMILES for N',2-dimethyl-N-(6-methylcyclohexa-2,4-dien-1-ylidene)propanimidamide is C/N=C(/N=C1\C=CC=CC1C)C(C)C.
What is the InChIKey of N',2-dimethyl-N-(6-methylcyclohexa-2,4-dien-1-ylidene)propanimidamide?
The InChIKey is LCBFUBXCGQWIGI-UIGAKZAYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9(2)12(13-4)14-11-8-6-5-7-10(11)3/h5-10H,1-4H3/b13-12+,14-11+.
What are the key properties of N',2-dimethyl-N-(6-methylcyclohexa-2,4-dien-1-ylidene)propanimidamide?
N',2-dimethyl-N-(6-methylcyclohexa-2,4-dien-1-ylidene)propanimidamide has a molecular weight of 190.29 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-N-(6-methylcyclohexa-2,4-dien-1-ylidene)propanimidamide is sourced from PubChem (CID 156793504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).