4-(3-aminopropylimino)-3-methyl-5-methyliminopentan-2-one

C10H19N3O — CID 123588525

IUPAC4-(3-aminopropylimino)-3-methyl-5-methyliminopentan-2-one
SMILESC/N=C/C(=N\CCCN)C(C)C(C)=O
InChIInChI=1S/C10H19N3O/c1-8(9(2)14)10(7-12-3)13-6-4-5-11/h7-8H,4-6,11H2,1-3H3/b12-7+,13-10+
InChIKeyFXXGEZADTPAHHR-IZENVRNYSA-N
MW197.28 g/mol
LogP0.70
Rot. Bonds6

About 4-(3-aminopropylimino)-3-methyl-5-methyliminopentan-2-one

4-(3-aminopropylimino)-3-methyl-5-methyliminopentan-2-one (PubChem CID 123588525) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-(3-aminopropylimino)-3-methyl-5-methyliminopentan-2-one.

Molecular Properties

Compound Name4-(3-aminopropylimino)-3-methyl-5-methyliminopentan-2-one
PubChem CID123588525
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name4-(3-aminopropylimino)-3-methyl-5-methyliminopentan-2-one
SMILESC/N=C/C(=N\CCCN)C(C)C(C)=O
InChIInChI=1S/C10H19N3O/c1-8(9(2)14)10(7-12-3)13-6-4-5-11/h7-8H,4-6,11H2,1-3H3/b12-7+,13-10+
InChIKeyFXXGEZADTPAHHR-IZENVRNYSA-N
XLogP0.70
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-aminopropylimino)pentan-2-one
CID 91484277
acetic acid;2-(22-aminodocosyl)guanidine
CID 172684363
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diaminopentanoic acid
CID 173329365
bis(N-[3-(3-aminopropylimino)butan-2-ylidene]hydroxylamine);cobalt(2+)
CID 135459891
(3S)-7-amino-3-methylheptan-2-one;ethane
CID 145493099
2-(3-aminopropyl)-1-[N'-(3-aminopropyl)carbamimidoyl]guanidine
CID 150669227
(2R)-5-(1-aminoethylideneamino)-2-methylpentanoic acid
CID 90976628
acetic acid;propane-1,3-diamine
CID 158444659
(3S)-6-amino-3-(methylamino)hexan-2-one
CID 59098893
3-acetyl-2-methyl-4-oxopentanoic acid;butane-1,4-diamine
CID 175431718
2-(4-aminobutyl)guanidine
CID 22560045
1-amino-2-(3-aminopropyl)guanidine
CID 130567724

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropylimino)-3-methyl-5-methyliminopentan-2-one?
The IUPAC name of 4-(3-aminopropylimino)-3-methyl-5-methyliminopentan-2-one (CID 123588525) is 4-(3-aminopropylimino)-3-methyl-5-methyliminopentan-2-one.
What is the SMILES notation for 4-(3-aminopropylimino)-3-methyl-5-methyliminopentan-2-one?
The canonical SMILES for 4-(3-aminopropylimino)-3-methyl-5-methyliminopentan-2-one is C/N=C/C(=N\CCCN)C(C)C(C)=O.
What is the InChIKey of 4-(3-aminopropylimino)-3-methyl-5-methyliminopentan-2-one?
The InChIKey is FXXGEZADTPAHHR-IZENVRNYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8(9(2)14)10(7-12-3)13-6-4-5-11/h7-8H,4-6,11H2,1-3H3/b12-7+,13-10+.
What are the key properties of 4-(3-aminopropylimino)-3-methyl-5-methyliminopentan-2-one?
4-(3-aminopropylimino)-3-methyl-5-methyliminopentan-2-one has a molecular weight of 197.28 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropylimino)-3-methyl-5-methyliminopentan-2-one is sourced from PubChem (CID 123588525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).