(4R)-4-methanimidoylhexanal

C7H13NO — CID 174567624

IUPAC(4R)-4-methanimidoylhexanal
SMILES[H]/N=C/[C@H](CC)CCC=O
InChIInChI=1S/C7H13NO/c1-2-7(6-8)4-3-5-9/h5-8H,2-4H2,1H3/b8-6+/t7-/m1/s1
InChIKeyCDPZVBIGEISFEW-UQBZRGDZSA-N
MW127.19 g/mol
LogP1.64
Rot. Bonds5

About (4R)-4-methanimidoylhexanal

(4R)-4-methanimidoylhexanal (PubChem CID 174567624) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (4R)-4-methanimidoylhexanal.

Molecular Properties

Compound Name(4R)-4-methanimidoylhexanal
PubChem CID174567624
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(4R)-4-methanimidoylhexanal
SMILES[H]/N=C/[C@H](CC)CCC=O
InChIInChI=1S/C7H13NO/c1-2-7(6-8)4-3-5-9/h5-8H,2-4H2,1H3/b8-6+/t7-/m1/s1
InChIKeyCDPZVBIGEISFEW-UQBZRGDZSA-N
XLogP1.64
TPSA40.92 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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

triethyl(3-oxopropyl)phosphanium
CID 89178953
2-propylpentanedial
CID 86120951
(2S)-2-methanimidoyl-N,N-dimethylbutan-1-amine;dihydrochloride
CID 174435575
2-ethyl-4-iminobutanal
CID 173121317
4-sulfanylhexanal
CID 174812634
(2E)-2-ethylidene-4-methanimidoylhexanamide
CID 167093885
1-iminobutan-2-ylphosphonic acid
CID 175269610
4,7-dimethylnonanal
CID 87290996
(2S)-2-chloro-3-methanimidoylpentanal
CID 174336805
2-methanimidoyl-N-methylpentan-1-amine
CID 90738575
3-methanimidoylpentane-1,5-diol
CID 91152734
2-ethylhept-5-enal
CID 159875666

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methanimidoylhexanal?
The IUPAC name of (4R)-4-methanimidoylhexanal (CID 174567624) is (4R)-4-methanimidoylhexanal.
What is the SMILES notation for (4R)-4-methanimidoylhexanal?
The canonical SMILES for (4R)-4-methanimidoylhexanal is [H]/N=C/[C@H](CC)CCC=O.
What is the InChIKey of (4R)-4-methanimidoylhexanal?
The InChIKey is CDPZVBIGEISFEW-UQBZRGDZSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-7(6-8)4-3-5-9/h5-8H,2-4H2,1H3/b8-6+/t7-/m1/s1.
What are the key properties of (4R)-4-methanimidoylhexanal?
(4R)-4-methanimidoylhexanal has a molecular weight of 127.19 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methanimidoylhexanal is sourced from PubChem (CID 174567624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).