2-ethyl-3-(ethylideneamino)-4-methylcyclohexa-1,5-dien-1-amine

C11H18N2 — CID 139334574

IUPAC2-ethyl-3-(ethylideneamino)-4-methylcyclohexa-1,5-dien-1-amine
SMILESC/C=N/C1C(CC)=C(N)C=CC1C
InChIInChI=1S/C11H18N2/c1-4-9-10(12)7-6-8(3)11(9)13-5-2/h5-8,11H,4,12H2,1-3H3/b13-5+
InChIKeyBNVXPEPXKYZJKL-WLRTZDKTSA-N
MW178.28 g/mol
LogP2.27
Rot. Bonds2

About 2-ethyl-3-(ethylideneamino)-4-methylcyclohexa-1,5-dien-1-amine

2-ethyl-3-(ethylideneamino)-4-methylcyclohexa-1,5-dien-1-amine (PubChem CID 139334574) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-ethyl-3-(ethylideneamino)-4-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name2-ethyl-3-(ethylideneamino)-4-methylcyclohexa-1,5-dien-1-amine
PubChem CID139334574
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-ethyl-3-(ethylideneamino)-4-methylcyclohexa-1,5-dien-1-amine
SMILESC/C=N/C1C(CC)=C(N)C=CC1C
InChIInChI=1S/C11H18N2/c1-4-9-10(12)7-6-8(3)11(9)13-5-2/h5-8,11H,4,12H2,1-3H3/b13-5+
InChIKeyBNVXPEPXKYZJKL-WLRTZDKTSA-N
XLogP2.27
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-(ethylideneamino)-5-methylnona-2,8-dien-4-amine
CID 89503499
1-(6H-indol-7-yl)butan-2-amine
CID 91003537
(7-butan-2-yl-8H-cyclohepta[b]pyridin-4-yl)methanamine
CID 91524962
N'-(6,8,9-trimethyldeca-2,4-dien-4-yl)ethane-1,2-diimine
CID 123315279
1-(6,7-Dihydroquinolin-8-yl)ethanamine
CID 123804240
N-[(2E)-7-(3,4-dihydropyridin-6-yl)-3,4-dimethyl-6-prop-1-enyldeca-2,6,9-trien-2-yl]ethanimine
CID 123899882
N-(4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)butan-1-imine
CID 124013525
3-[[(Z)-but-2-enylidene]amino]-6-methylcyclohexa-1,3-dien-1-amine
CID 129060085
4-[[[(E)-3-(4-aminocyclohexa-1,3-dien-1-yl)prop-2-enylidene]amino]methyl]-6-methylcyclohexa-1,3-dien-1-amine
CID 129254493
(4Z,6Z)-5-cyclohexa-1,3-dien-1-yl-7-cyclopenta-1,3-dien-1-yl-7-(ethylideneamino)-2-methylhepta-2,4,6-trien-3-amine
CID 134356896
(3Z,4E)-3-(aminomethylidene)-4-[(4S)-4-methyl-3,4-dihydroazepin-2-ylidene]cyclohexa-1,5-dien-1-amine
CID 137417631
1-[(E)-6-methyl-2-[(Z)-prop-1-enyl]hept-2-enyl]iminopropan-2-amine
CID 137535676

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(ethylideneamino)-4-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 2-ethyl-3-(ethylideneamino)-4-methylcyclohexa-1,5-dien-1-amine (CID 139334574) is 2-ethyl-3-(ethylideneamino)-4-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 2-ethyl-3-(ethylideneamino)-4-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 2-ethyl-3-(ethylideneamino)-4-methylcyclohexa-1,5-dien-1-amine is C/C=N/C1C(CC)=C(N)C=CC1C.
What is the InChIKey of 2-ethyl-3-(ethylideneamino)-4-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is BNVXPEPXKYZJKL-WLRTZDKTSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-9-10(12)7-6-8(3)11(9)13-5-2/h5-8,11H,4,12H2,1-3H3/b13-5+.
What are the key properties of 2-ethyl-3-(ethylideneamino)-4-methylcyclohexa-1,5-dien-1-amine?
2-ethyl-3-(ethylideneamino)-4-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 178.28 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(ethylideneamino)-4-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 139334574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).