5-amino-2-methylpentanethial

C6H13NS — CID 88838676

IUPAC5-amino-2-methylpentanethial
SMILESCC(C=S)CCCN
InChIInChI=1S/C6H13NS/c1-6(5-8)3-2-4-7/h5-6H,2-4,7H2,1H3
InChIKeyIPZFCZAXMDMIRS-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.36
Rot. Bonds4

About 5-amino-2-methylpentanethial

5-amino-2-methylpentanethial (PubChem CID 88838676) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 5-amino-2-methylpentanethial.

Molecular Properties

Compound Name5-amino-2-methylpentanethial
PubChem CID88838676
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name5-amino-2-methylpentanethial
SMILESCC(C=S)CCCN
InChIInChI=1S/C6H13NS/c1-6(5-8)3-2-4-7/h5-6H,2-4,7H2,1H3
InChIKeyIPZFCZAXMDMIRS-UHFFFAOYSA-N
XLogP1.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4,5-dimethylhexan-1-amine
CID 55283993
(2S)-5-amino-2-methylpentan-1-ol
CID 94975378
2-methylpentane-1,5-diamine;pentane-1,5-diamine
CID 22378492
4,7-dimethyloctan-1-amine
CID 123439711
4-methylheptan-1-amine
CID 18618988
methyl (2S)-5-amino-2-methylpentanoate
CID 88555940
(E,5R)-8-amino-2-imino-5-methyloct-3-enal
CID 163633167
36-methylheptatriacontan-1-amine
CID 134324173
propane-1,3-diamine;bis(propan-2-ol)
CID 87899449
4-N,5-dimethylhexane-1,4-diamine
CID 116949244
4-propan-2-yloctan-1-amine
CID 126657786
decane-1,9-diamine
CID 23448369

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methylpentanethial?
The IUPAC name of 5-amino-2-methylpentanethial (CID 88838676) is 5-amino-2-methylpentanethial.
What is the SMILES notation for 5-amino-2-methylpentanethial?
The canonical SMILES for 5-amino-2-methylpentanethial is CC(C=S)CCCN.
What is the InChIKey of 5-amino-2-methylpentanethial?
The InChIKey is IPZFCZAXMDMIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-6(5-8)3-2-4-7/h5-6H,2-4,7H2,1H3.
What are the key properties of 5-amino-2-methylpentanethial?
5-amino-2-methylpentanethial has a molecular weight of 131.24 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methylpentanethial is sourced from PubChem (CID 88838676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).