(3E,6R)-5-ethyl-8-imino-5,6-dimethylocta-1,3-dien-4-amine

C12H22N2 — CID 126584283

IUPAC(3E,6R)-5-ethyl-8-imino-5,6-dimethylocta-1,3-dien-4-amine
SMILES[H]/N=C/C[C@@H](C)C(C)(CC)/C(N)=C\C=C
InChIInChI=1S/C12H22N2/c1-5-7-11(14)12(4,6-2)10(3)8-9-13/h5,7,9-10,13H,1,6,8,14H2,2-4H3/b11-7+,13-9+/t10-,12?/m1/s1
InChIKeyCBMRYZDTXWHQKW-OHCDTNHZSA-N
MW194.32 g/mol
LogP3.11
Rot. Bonds6

About (3E,6R)-5-ethyl-8-imino-5,6-dimethylocta-1,3-dien-4-amine

(3E,6R)-5-ethyl-8-imino-5,6-dimethylocta-1,3-dien-4-amine (PubChem CID 126584283) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (3E,6R)-5-ethyl-8-imino-5,6-dimethylocta-1,3-dien-4-amine.

Molecular Properties

Compound Name(3E,6R)-5-ethyl-8-imino-5,6-dimethylocta-1,3-dien-4-amine
PubChem CID126584283
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(3E,6R)-5-ethyl-8-imino-5,6-dimethylocta-1,3-dien-4-amine
SMILES[H]/N=C/C[C@@H](C)C(C)(CC)/C(N)=C\C=C
InChIInChI=1S/C12H22N2/c1-5-7-11(14)12(4,6-2)10(3)8-9-13/h5,7,9-10,13H,1,6,8,14H2,2-4H3/b11-7+,13-9+/t10-,12?/m1/s1
InChIKeyCBMRYZDTXWHQKW-OHCDTNHZSA-N
XLogP3.11
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E,6R)-5-ethyl-8-imino-5,6-dimethylocta-1,3-dien-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 88870663
CID 88870663
N'-(6,8,9-trimethyldeca-2,4-dien-4-yl)ethane-1,2-diimine
CID 123315279
(1Z,3Z)-5-ethyl-3-methanimidoyl-6,6-dimethylhepta-1,3-diene-1,4-diamine
CID 146369451
(E)-2-[(6R)-5-amino-6-ethyl-6-methylcyclohexa-2,4-dien-1-yl]-4-iminobut-2-enenitrile
CID 163724715
3-[(3Z,5Z)-octa-3,5-dien-2-yl]-3,4-dihydropyridin-5-amine
CID 163740599
(6R)-5-ethyl-8-imino-5,6-dimethylocta-1,3-dien-4-amine
CID 173670567
3-imino-2-methyl-1-[(1R,6S)-1,2,6-trimethylcyclohex-3-en-1-yl]prop-1-en-1-amine
CID 174001735
N-[(3Z)-5-ethyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine
CID 144765342
N-[(3Z)-5-tert-butyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine
CID 144768985

Frequently Asked Questions

What is the IUPAC name of (3E,6R)-5-ethyl-8-imino-5,6-dimethylocta-1,3-dien-4-amine?
The IUPAC name of (3E,6R)-5-ethyl-8-imino-5,6-dimethylocta-1,3-dien-4-amine (CID 126584283) is (3E,6R)-5-ethyl-8-imino-5,6-dimethylocta-1,3-dien-4-amine.
What is the SMILES notation for (3E,6R)-5-ethyl-8-imino-5,6-dimethylocta-1,3-dien-4-amine?
The canonical SMILES for (3E,6R)-5-ethyl-8-imino-5,6-dimethylocta-1,3-dien-4-amine is [H]/N=C/C[C@@H](C)C(C)(CC)/C(N)=C\C=C.
What is the InChIKey of (3E,6R)-5-ethyl-8-imino-5,6-dimethylocta-1,3-dien-4-amine?
The InChIKey is CBMRYZDTXWHQKW-OHCDTNHZSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-7-11(14)12(4,6-2)10(3)8-9-13/h5,7,9-10,13H,1,6,8,14H2,2-4H3/b11-7+,13-9+/t10-,12?/m1/s1.
What are the key properties of (3E,6R)-5-ethyl-8-imino-5,6-dimethylocta-1,3-dien-4-amine?
(3E,6R)-5-ethyl-8-imino-5,6-dimethylocta-1,3-dien-4-amine has a molecular weight of 194.32 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6R)-5-ethyl-8-imino-5,6-dimethylocta-1,3-dien-4-amine is sourced from PubChem (CID 126584283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).