(2S)-2-(ethenylamino)-4-methylpentanal

C8H15NO — CID 89018282

IUPAC(2S)-2-(ethenylamino)-4-methylpentanal
SMILESC=CN[C@H](C=O)CC(C)C
InChIInChI=1S/C8H15NO/c1-4-9-8(6-10)5-7(2)3/h4,6-9H,1,5H2,2-3H3/t8-/m0/s1
InChIKeyLDWWZNWSMMAFAY-QMMMGPOBSA-N
MW141.21 g/mol
LogP1.33
Rot. Bonds5

About (2S)-2-(ethenylamino)-4-methylpentanal

(2S)-2-(ethenylamino)-4-methylpentanal (PubChem CID 89018282) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2S)-2-(ethenylamino)-4-methylpentanal.

Molecular Properties

Compound Name(2S)-2-(ethenylamino)-4-methylpentanal
PubChem CID89018282
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2S)-2-(ethenylamino)-4-methylpentanal
SMILESC=CN[C@H](C=O)CC(C)C
InChIInChI=1S/C8H15NO/c1-4-9-8(6-10)5-7(2)3/h4,6-9H,1,5H2,2-3H3/t8-/m0/s1
InChIKeyLDWWZNWSMMAFAY-QMMMGPOBSA-N
XLogP1.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(methoxyamino)-4-methylpentanal
CID 18004474
2-amino-N-(4-methyl-1-oxopentan-2-yl)propanamide
CID 22169553
(2R)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
CID 175421037
2-[(4-methyl-1-oxopentan-2-yl)amino]-N-(2-oxoethyl)acetamide
CID 144519376
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 154573898
3-[(4-methyl-1-oxopentan-2-yl)amino]propylphosphonic acid
CID 57094425
(5Z)-N,2-dimethylocta-5,7-dien-4-amine
CID 166800331
2-[(2-aminoacetyl)amino]-N-(4-methyl-1-oxopentan-2-yl)propanamide
CID 143591672
(2S,3R)-2-amino-3-hydroxy-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
CID 173121896
1-N,1-N'-bis(ethenyl)ethane-1,1-diamine;ethane
CID 143425316
N-ethenyl-1-methoxyethanamine
CID 134202269
prop-2-enyl 2-hydroxy-4-methylpentanoate
CID 18724155

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(ethenylamino)-4-methylpentanal?
The IUPAC name of (2S)-2-(ethenylamino)-4-methylpentanal (CID 89018282) is (2S)-2-(ethenylamino)-4-methylpentanal.
What is the SMILES notation for (2S)-2-(ethenylamino)-4-methylpentanal?
The canonical SMILES for (2S)-2-(ethenylamino)-4-methylpentanal is C=CN[C@H](C=O)CC(C)C.
What is the InChIKey of (2S)-2-(ethenylamino)-4-methylpentanal?
The InChIKey is LDWWZNWSMMAFAY-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-9-8(6-10)5-7(2)3/h4,6-9H,1,5H2,2-3H3/t8-/m0/s1.
What are the key properties of (2S)-2-(ethenylamino)-4-methylpentanal?
(2S)-2-(ethenylamino)-4-methylpentanal has a molecular weight of 141.21 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethenylamino)-4-methylpentanal is sourced from PubChem (CID 89018282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).