6-amino-2-methyliminohexanal

C7H14N2O — CID 163515428

IUPAC6-amino-2-methyliminohexanal
SMILESC/N=C(\C=O)CCCCN
InChIInChI=1S/C7H14N2O/c1-9-7(6-10)4-2-3-5-8/h6H,2-5,8H2,1H3/b9-7-
InChIKeyDGHNGLYHJZLOTB-CLFYSBASSA-N
MW142.20 g/mol
LogP0.39
Rot. Bonds5

About 6-amino-2-methyliminohexanal

6-amino-2-methyliminohexanal (PubChem CID 163515428) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 6-amino-2-methyliminohexanal.

Molecular Properties

Compound Name6-amino-2-methyliminohexanal
PubChem CID163515428
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name6-amino-2-methyliminohexanal
SMILESC/N=C(\C=O)CCCCN
InChIInChI=1S/C7H14N2O/c1-9-7(6-10)4-2-3-5-8/h6H,2-5,8H2,1H3/b9-7-
InChIKeyDGHNGLYHJZLOTB-CLFYSBASSA-N
XLogP0.39
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-amino-2-methylidenehexanal
CID 173144612
5-amino-2-propan-2-ylidenepentanal
CID 173295367
5-aminopentanamide;ethane
CID 145257040
(2E)-7-amino-2-ethylideneheptanoic acid
CID 172696017
(E)-2-methylhex-1-ene-1,6-diamine
CID 122661834
11-aminoundecanoic acid;ethane
CID 144914161
formic acid;heptan-1-amine
CID 144828464
decan-1-amine;formic acid
CID 157494086
16-aminohexadecanamide
CID 86033165
6-aminohexanoic acid;ethane;molecular hydrogen
CID 143775887
14-amino-N-hydroxytetradecanamide
CID 87686192
14-aminotetradecan-3-one
CID 178176766

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyliminohexanal?
The IUPAC name of 6-amino-2-methyliminohexanal (CID 163515428) is 6-amino-2-methyliminohexanal.
What is the SMILES notation for 6-amino-2-methyliminohexanal?
The canonical SMILES for 6-amino-2-methyliminohexanal is C/N=C(\C=O)CCCCN.
What is the InChIKey of 6-amino-2-methyliminohexanal?
The InChIKey is DGHNGLYHJZLOTB-CLFYSBASSA-N. The full InChI is InChI=1S/C7H14N2O/c1-9-7(6-10)4-2-3-5-8/h6H,2-5,8H2,1H3/b9-7-.
What are the key properties of 6-amino-2-methyliminohexanal?
6-amino-2-methyliminohexanal has a molecular weight of 142.20 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyliminohexanal is sourced from PubChem (CID 163515428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).