4-methyl-N-propan-2-ylidenecyclohexa-2,4-diene-1-carboximidamide

C11H16N2 — CID 144638111

IUPAC4-methyl-N-propan-2-ylidenecyclohexa-2,4-diene-1-carboximidamide
SMILES[H]/N=C(\N=C(C)C)C1C=CC(C)=CC1
InChIInChI=1S/C11H16N2/c1-8(2)13-11(12)10-6-4-9(3)5-7-10/h4-6,10,12H,7H2,1-3H3/b12-11-
InChIKeyAESKVVASUBEGBT-QXMHVHEDSA-N
MW176.26 g/mol
LogP2.97
Rot. Bonds1

About 4-methyl-N-propan-2-ylidenecyclohexa-2,4-diene-1-carboximidamide

4-methyl-N-propan-2-ylidenecyclohexa-2,4-diene-1-carboximidamide (PubChem CID 144638111) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-methyl-N-propan-2-ylidenecyclohexa-2,4-diene-1-carboximidamide.

Molecular Properties

Compound Name4-methyl-N-propan-2-ylidenecyclohexa-2,4-diene-1-carboximidamide
PubChem CID144638111
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name4-methyl-N-propan-2-ylidenecyclohexa-2,4-diene-1-carboximidamide
SMILES[H]/N=C(\N=C(C)C)C1C=CC(C)=CC1
InChIInChI=1S/C11H16N2/c1-8(2)13-11(12)10-6-4-9(3)5-7-10/h4-6,10,12H,7H2,1-3H3/b12-11-
InChIKeyAESKVVASUBEGBT-QXMHVHEDSA-N
XLogP2.97
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.97
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

N-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethanimidamide
CID 89952669
(6-Methyl-5-methylidene-2-pyridinylidene)azanium
CID 90829837
3-Ethyl-2,3-dihydropyridine-6-carboximidamide
CID 123563688
N-methylidenecyclohexa-2,4-diene-1-carboximidamide
CID 134198615
4-Methylcyclohexa-2,4-diene-1-carboximidamide
CID 141972524
3-Methylcyclohexa-2,4-diene-1-carboximidamide
CID 142943316
(2E,4Z)-N-[(5Z,7Z)-deca-5,7-dien-3-ylidene]-2-ethylhexa-2,4-dienimidamide;ethane
CID 144214082
N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanimidamide;propane
CID 144881614
4-Tert-butylcyclohexa-2,4-diene-1-carboximidamide
CID 147264212
ethane;N-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]methanimidamide
CID 155574635
N-[(Z)-6-methyl-5-methylidenehept-3-en-2-ylidene]methanimidamide
CID 156141355
(3Z)-3-ethylidene-6-methylpyridin-2-imine
CID 156327092

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propan-2-ylidenecyclohexa-2,4-diene-1-carboximidamide?
The IUPAC name of 4-methyl-N-propan-2-ylidenecyclohexa-2,4-diene-1-carboximidamide (CID 144638111) is 4-methyl-N-propan-2-ylidenecyclohexa-2,4-diene-1-carboximidamide.
What is the SMILES notation for 4-methyl-N-propan-2-ylidenecyclohexa-2,4-diene-1-carboximidamide?
The canonical SMILES for 4-methyl-N-propan-2-ylidenecyclohexa-2,4-diene-1-carboximidamide is [H]/N=C(\N=C(C)C)C1C=CC(C)=CC1.
What is the InChIKey of 4-methyl-N-propan-2-ylidenecyclohexa-2,4-diene-1-carboximidamide?
The InChIKey is AESKVVASUBEGBT-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H16N2/c1-8(2)13-11(12)10-6-4-9(3)5-7-10/h4-6,10,12H,7H2,1-3H3/b12-11-.
What are the key properties of 4-methyl-N-propan-2-ylidenecyclohexa-2,4-diene-1-carboximidamide?
4-methyl-N-propan-2-ylidenecyclohexa-2,4-diene-1-carboximidamide has a molecular weight of 176.26 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propan-2-ylidenecyclohexa-2,4-diene-1-carboximidamide is sourced from PubChem (CID 144638111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).