(Z)-6-[methyl(2-methylpropyl)amino]hex-4-enal

C11H21NO — CID 142940143

IUPAC(Z)-6-[methyl(2-methylpropyl)amino]hex-4-enal
SMILESCC(C)CN(C)C/C=C\CCC=O
InChIInChI=1S/C11H21NO/c1-11(2)10-12(3)8-6-4-5-7-9-13/h4,6,9,11H,5,7-8,10H2,1-3H3/b6-4-
InChIKeyYMOCXHHYHHOGQQ-XQRVVYSFSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds7

About (Z)-6-[methyl(2-methylpropyl)amino]hex-4-enal

(Z)-6-[methyl(2-methylpropyl)amino]hex-4-enal (PubChem CID 142940143) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (Z)-6-[methyl(2-methylpropyl)amino]hex-4-enal.

Molecular Properties

Compound Name(Z)-6-[methyl(2-methylpropyl)amino]hex-4-enal
PubChem CID142940143
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(Z)-6-[methyl(2-methylpropyl)amino]hex-4-enal
SMILESCC(C)CN(C)C/C=C\CCC=O
InChIInChI=1S/C11H21NO/c1-11(2)10-12(3)8-6-4-5-7-9-13/h4,6,9,11H,5,7-8,10H2,1-3H3/b6-4-
InChIKeyYMOCXHHYHHOGQQ-XQRVVYSFSA-N
XLogP2.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.11
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

3,7-Dimethyl-8-[methyl(prop-2-enyl)amino]octa-2,6-dienal
CID 57002090
1-methyl-3,6-dihydro-2H-pyridine-3-carbaldehyde
CID 57292851
(2E,6E)-3,7-dimethyl-8-[methyl(prop-2-enyl)amino]octa-2,6-dienal
CID 88185246
8-[Ethyl(methyl)amino]-2-methyloct-6-enal
CID 90938345
ethane;(3Z,5Z)-8-[methyl(propyl)amino]octa-3,5-dienal
CID 143353175
ethane;N-ethyl-N-methylbut-3-en-1-amine;(Z)-pent-3-enal
CID 143355160
N-ethyl-N-methylbut-3-en-1-amine;(Z)-2-methylhex-3-enal
CID 143355704
ethane;(3Z,5Z)-8-[ethyl(methyl)amino]octa-3,5-dienal
CID 143360432
N-ethyl-N-methylethanamine;(Z)-2-methylpent-3-enal;prop-1-ene
CID 143362831
4-[methyl-[(2E)-4-methylpenta-2,4-dienyl]amino]butanal
CID 166891391
(Z)-hex-4-enal;1-methylpyrrolidine
CID 168981066
2-Methyl-8-[methyl(propyl)amino]oct-6-enal
CID 173051366

Frequently Asked Questions

What is the IUPAC name of (Z)-6-[methyl(2-methylpropyl)amino]hex-4-enal?
The IUPAC name of (Z)-6-[methyl(2-methylpropyl)amino]hex-4-enal (CID 142940143) is (Z)-6-[methyl(2-methylpropyl)amino]hex-4-enal.
What is the SMILES notation for (Z)-6-[methyl(2-methylpropyl)amino]hex-4-enal?
The canonical SMILES for (Z)-6-[methyl(2-methylpropyl)amino]hex-4-enal is CC(C)CN(C)C/C=C\CCC=O.
What is the InChIKey of (Z)-6-[methyl(2-methylpropyl)amino]hex-4-enal?
The InChIKey is YMOCXHHYHHOGQQ-XQRVVYSFSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(2)10-12(3)8-6-4-5-7-9-13/h4,6,9,11H,5,7-8,10H2,1-3H3/b6-4-.
What are the key properties of (Z)-6-[methyl(2-methylpropyl)amino]hex-4-enal?
(Z)-6-[methyl(2-methylpropyl)amino]hex-4-enal has a molecular weight of 183.29 g/mol, XLogP of 2.11, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-[methyl(2-methylpropyl)amino]hex-4-enal is sourced from PubChem (CID 142940143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).