N-(2-cyclohexa-1,3-dien-1-ylethyl)-N-methylethanimidamide

C11H18N2 — CID 142132142

IUPACN-(2-cyclohexa-1,3-dien-1-ylethyl)-N-methylethanimidamide
SMILES[H]/N=C(\C)N(C)CCC1=CC=CCC1
InChIInChI=1S/C11H18N2/c1-10(12)13(2)9-8-11-6-4-3-5-7-11/h3-4,6,12H,5,7-9H2,1-2H3/b12-10+
InChIKeyMSNSKXHHLUWAFR-ZRDIBKRKSA-N
MW178.28 g/mol
LogP2.58
Rot. Bonds3

About N-(2-cyclohexa-1,3-dien-1-ylethyl)-N-methylethanimidamide

N-(2-cyclohexa-1,3-dien-1-ylethyl)-N-methylethanimidamide (PubChem CID 142132142) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-(2-cyclohexa-1,3-dien-1-ylethyl)-N-methylethanimidamide.

Molecular Properties

Compound NameN-(2-cyclohexa-1,3-dien-1-ylethyl)-N-methylethanimidamide
PubChem CID142132142
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-(2-cyclohexa-1,3-dien-1-ylethyl)-N-methylethanimidamide
SMILES[H]/N=C(\C)N(C)CCC1=CC=CCC1
InChIInChI=1S/C11H18N2/c1-10(12)13(2)9-8-11-6-4-3-5-7-11/h3-4,6,12H,5,7-9H2,1-2H3/b12-10+
InChIKeyMSNSKXHHLUWAFR-ZRDIBKRKSA-N
XLogP2.58
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.58
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-[(E)-6-fluoro-4-methylidenehept-5-enyl]-N-methylethanimidamide
CID 141963030
1-[4-[(3Z,5Z)-3-(trifluoromethyl)hepta-1,3,5-trien-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanimine
CID 144041333
5-Fluoro-2-methylidene-1-piperidin-1-ylhept-3-en-1-imine
CID 142083480
3-cyclohexa-2,4-dien-1-yl-N,N-diethylbutanimidamide
CID 126659987
1-[(5Z)-5-methyl-3,4,7,8-tetrahydro-2H-azocin-1-yl]ethanimine
CID 142050922
(3Z)-N,N-dimethyl-3-prop-1-en-2-ylhexa-3,5-dienimidamide
CID 142083540
N-(2-cyclohexa-1,3-dien-1-ylethyl)-N-methylethanimidamide;ethane;prop-1-ene
CID 142132141
N-(2-cyclohexa-1,5-dien-1-ylethyl)-N-methylethanimidamide
CID 142132215
N-methyl-N-[2-(2-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene-1-carboximidamide
CID 146614260
Cyclohexa-1,5-dien-1-yl(piperidin-1-yl)methanimine
CID 173151829
(2Z,4E)-4-methyl-1-piperidin-1-ylhexa-2,4-dien-1-imine
CID 177982841
(Z)-4-cyclohepta-1,3,5-trien-1-yl-N,N-dipropylbut-2-enimidamide
CID 143573141

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexa-1,3-dien-1-ylethyl)-N-methylethanimidamide?
The IUPAC name of N-(2-cyclohexa-1,3-dien-1-ylethyl)-N-methylethanimidamide (CID 142132142) is N-(2-cyclohexa-1,3-dien-1-ylethyl)-N-methylethanimidamide.
What is the SMILES notation for N-(2-cyclohexa-1,3-dien-1-ylethyl)-N-methylethanimidamide?
The canonical SMILES for N-(2-cyclohexa-1,3-dien-1-ylethyl)-N-methylethanimidamide is [H]/N=C(\C)N(C)CCC1=CC=CCC1.
What is the InChIKey of N-(2-cyclohexa-1,3-dien-1-ylethyl)-N-methylethanimidamide?
The InChIKey is MSNSKXHHLUWAFR-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H18N2/c1-10(12)13(2)9-8-11-6-4-3-5-7-11/h3-4,6,12H,5,7-9H2,1-2H3/b12-10+.
What are the key properties of N-(2-cyclohexa-1,3-dien-1-ylethyl)-N-methylethanimidamide?
N-(2-cyclohexa-1,3-dien-1-ylethyl)-N-methylethanimidamide has a molecular weight of 178.28 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexa-1,3-dien-1-ylethyl)-N-methylethanimidamide is sourced from PubChem (CID 142132142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).