8-[ethyl(methyl)amino]-2-methyloct-6-enal

C12H23NO — CID 90938345

IUPAC8-[ethyl(methyl)amino]-2-methyloct-6-enal
SMILESCCN(C)CC=CCCCC(C)C=O
InChIInChI=1S/C12H23NO/c1-4-13(3)10-8-6-5-7-9-12(2)11-14/h6,8,11-12H,4-5,7,9-10H2,1-3H3
InChIKeyUSZBYOJVLGUENT-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds8

About 8-[ethyl(methyl)amino]-2-methyloct-6-enal

8-[ethyl(methyl)amino]-2-methyloct-6-enal (PubChem CID 90938345) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 8-[ethyl(methyl)amino]-2-methyloct-6-enal.

Molecular Properties

Compound Name8-[ethyl(methyl)amino]-2-methyloct-6-enal
PubChem CID90938345
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name8-[ethyl(methyl)amino]-2-methyloct-6-enal
SMILESCCN(C)CC=CCCCC(C)C=O
InChIInChI=1S/C12H23NO/c1-4-13(3)10-8-6-5-7-9-12(2)11-14/h6,8,11-12H,4-5,7,9-10H2,1-3H3
InChIKeyUSZBYOJVLGUENT-UHFFFAOYSA-N
XLogP2.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(Diethylamino)cyclohex-3-ene-1-carbaldehyde
CID 121219528
2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde
CID 20655773
(5Z,7E)-7-(diethylamino)-4-methylnona-5,7-dienal
CID 89193963
9-[Ethyl(methyl)amino]non-7-enal
CID 91587603
3-[(3Z,7Z)-1,5-dimethyl-6-methylidene-2,5-dihydroazocin-7-yl]propanal
CID 146416812
9-[Methyl(propyl)amino]non-7-enal
CID 173051229
2-Methyl-8-[methyl(propyl)amino]oct-6-enal
CID 173051366
cyclohex-2-ene-1-carbaldehyde;N,N-dimethylmethanamine
CID 174573528
(6E,8Z)-11-(dimethylamino)-2,4,8-trimethylundeca-6,8-dienal
CID 142177266
(Z)-6-[methyl(2-methylpropyl)amino]hex-4-enal
CID 142940143

Frequently Asked Questions

What is the IUPAC name of 8-[ethyl(methyl)amino]-2-methyloct-6-enal?
The IUPAC name of 8-[ethyl(methyl)amino]-2-methyloct-6-enal (CID 90938345) is 8-[ethyl(methyl)amino]-2-methyloct-6-enal.
What is the SMILES notation for 8-[ethyl(methyl)amino]-2-methyloct-6-enal?
The canonical SMILES for 8-[ethyl(methyl)amino]-2-methyloct-6-enal is CCN(C)CC=CCCCC(C)C=O.
What is the InChIKey of 8-[ethyl(methyl)amino]-2-methyloct-6-enal?
The InChIKey is USZBYOJVLGUENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-13(3)10-8-6-5-7-9-12(2)11-14/h6,8,11-12H,4-5,7,9-10H2,1-3H3.
What are the key properties of 8-[ethyl(methyl)amino]-2-methyloct-6-enal?
8-[ethyl(methyl)amino]-2-methyloct-6-enal has a molecular weight of 197.32 g/mol, XLogP of 2.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[ethyl(methyl)amino]-2-methyloct-6-enal is sourced from PubChem (CID 90938345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).