6-amino-2-methylidenehexanal

C7H13NO — CID 173144612

IUPAC6-amino-2-methylidenehexanal
SMILESC=C(C=O)CCCCN
InChIInChI=1S/C7H13NO/c1-7(6-9)4-2-3-5-8/h6H,1-5,8H2
InChIKeySHINCXBLSZSKAA-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.87
Rot. Bonds5

About 6-amino-2-methylidenehexanal

6-amino-2-methylidenehexanal (PubChem CID 173144612) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 6-amino-2-methylidenehexanal.

Molecular Properties

Compound Name6-amino-2-methylidenehexanal
PubChem CID173144612
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name6-amino-2-methylidenehexanal
SMILESC=C(C=O)CCCCN
InChIInChI=1S/C7H13NO/c1-7(6-9)4-2-3-5-8/h6H,1-5,8H2
InChIKeySHINCXBLSZSKAA-UHFFFAOYSA-N
XLogP0.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.87
H-Bond Donors ≤ 51
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-methylidenepentanal
CID 156714911
6-amino-2-methyliminohexanal
CID 163515428
dodec-11-ene-1,11-diamine
CID 88786698
6-amino-2-methylidenehexanamide
CID 90258126
5-amino-2-propan-2-ylidenepentanal
CID 173295367
4-formylpent-4-enoic acid
CID 55298799
6-(7-aminohept-1-en-2-ylsulfanyl)hept-6-en-1-amine
CID 54573847
16-aminohexadecanamide
CID 86033165
14-amino-N-hydroxytetradecanamide
CID 87686192
20-amino-N-hydroxyicosanamide
CID 87686702
27-amino-N-hydroxyheptacosanamide
CID 87684790
nonanedioic acid;tridecane-1,13-diamine
CID 21330241

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methylidenehexanal?
The IUPAC name of 6-amino-2-methylidenehexanal (CID 173144612) is 6-amino-2-methylidenehexanal.
What is the SMILES notation for 6-amino-2-methylidenehexanal?
The canonical SMILES for 6-amino-2-methylidenehexanal is C=C(C=O)CCCCN.
What is the InChIKey of 6-amino-2-methylidenehexanal?
The InChIKey is SHINCXBLSZSKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-7(6-9)4-2-3-5-8/h6H,1-5,8H2.
What are the key properties of 6-amino-2-methylidenehexanal?
6-amino-2-methylidenehexanal has a molecular weight of 127.19 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methylidenehexanal is sourced from PubChem (CID 173144612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).