(Z)-3-(3-methylbutylamino)hex-2-enal

C11H21NO — CID 19770503

IUPAC(Z)-3-(3-methylbutylamino)hex-2-enal
SMILESCCC/C(=C/C=O)NCCC(C)C
InChIInChI=1S/C11H21NO/c1-4-5-11(7-9-13)12-8-6-10(2)3/h7,9-10,12H,4-6,8H2,1-3H3/b11-7-
InChIKeyPICNFHSRJRQKHH-XFFZJAGNSA-N
MW183.29 g/mol
LogP2.51
Rot. Bonds7

About (Z)-3-(3-methylbutylamino)hex-2-enal

(Z)-3-(3-methylbutylamino)hex-2-enal (PubChem CID 19770503) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (Z)-3-(3-methylbutylamino)hex-2-enal.

Molecular Properties

Compound Name(Z)-3-(3-methylbutylamino)hex-2-enal
PubChem CID19770503
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(Z)-3-(3-methylbutylamino)hex-2-enal
SMILESCCC/C(=C/C=O)NCCC(C)C
InChIInChI=1S/C11H21NO/c1-4-5-11(7-9-13)12-8-6-10(2)3/h7,9-10,12H,4-6,8H2,1-3H3/b11-7-
InChIKeyPICNFHSRJRQKHH-XFFZJAGNSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138
ethane;N-(3-methylbutyl)octadecanamide
CID 172601405
N-[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]butanamide;N-methyl-N'-[3-[[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanediamide
CID 158652693
1,3-bis(3-methylbutyl)urea
CID 22563958
N'-(3-methylbutyl)-N-pentyloxamide
CID 108521757
(E)-N-(2-methylpropyl)hex-2-en-3-amine
CID 174271616
(Z)-N-(3-methylbutyl)docos-13-enamide
CID 170129980
4,4-dimethyl-N-(3-methylbutyl)hexanamide
CID 162526519
2-(3-methylbutylamino)-N-propylacetamide
CID 28576469
N-(3-methylbutyl)-1-phosphanylformamide
CID 143734498
4-hydroxy-N-(3-methylbutyl)pentanamide
CID 79001671
N-(3,3-difluoropropyl)butanamide
CID 147098310

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-methylbutylamino)hex-2-enal?
The IUPAC name of (Z)-3-(3-methylbutylamino)hex-2-enal (CID 19770503) is (Z)-3-(3-methylbutylamino)hex-2-enal.
What is the SMILES notation for (Z)-3-(3-methylbutylamino)hex-2-enal?
The canonical SMILES for (Z)-3-(3-methylbutylamino)hex-2-enal is CCC/C(=C/C=O)NCCC(C)C.
What is the InChIKey of (Z)-3-(3-methylbutylamino)hex-2-enal?
The InChIKey is PICNFHSRJRQKHH-XFFZJAGNSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-5-11(7-9-13)12-8-6-10(2)3/h7,9-10,12H,4-6,8H2,1-3H3/b11-7-.
What are the key properties of (Z)-3-(3-methylbutylamino)hex-2-enal?
(Z)-3-(3-methylbutylamino)hex-2-enal has a molecular weight of 183.29 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-methylbutylamino)hex-2-enal is sourced from PubChem (CID 19770503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).