N'-(4-amino-3-oxopentyl)-2-methylbutanimidamide

C10H21N3O — CID 90867301

IUPACN'-(4-amino-3-oxopentyl)-2-methylbutanimidamide
SMILESCCC(C)/C(N)=N/CCC(=O)C(C)N
InChIInChI=1S/C10H21N3O/c1-4-7(2)10(12)13-6-5-9(14)8(3)11/h7-8H,4-6,11H2,1-3H3,(H2,12,13)
InChIKeyVQVDTVAFUDCBQD-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.70
Rot. Bonds6

About N'-(4-amino-3-oxopentyl)-2-methylbutanimidamide

N'-(4-amino-3-oxopentyl)-2-methylbutanimidamide (PubChem CID 90867301) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N'-(4-amino-3-oxopentyl)-2-methylbutanimidamide.

Molecular Properties

Compound NameN'-(4-amino-3-oxopentyl)-2-methylbutanimidamide
PubChem CID90867301
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN'-(4-amino-3-oxopentyl)-2-methylbutanimidamide
SMILESCCC(C)/C(N)=N/CCC(=O)C(C)N
InChIInChI=1S/C10H21N3O/c1-4-7(2)10(12)13-6-5-9(14)8(3)11/h7-8H,4-6,11H2,1-3H3,(H2,12,13)
InChIKeyVQVDTVAFUDCBQD-UHFFFAOYSA-N
XLogP0.70
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N'-(3-oxopentyl)butanimidamide
CID 90692878
N'-(4-amino-6-methyl-5-oxoheptyl)pentanimidamide
CID 90757765
N'-(3-oxopentyl)propanimidamide
CID 91186372
N'-(4-amino-5-oxohexyl)-2-methylpropanimidamide
CID 118636674
2-methyl-N'-(3-oxobutyl)butanimidamide
CID 123371036
N'-(2-amino-3-oxobutyl)-2-methylbutanimidamide
CID 123669719
N'-(3-amino-2-oxobutyl)pentanimidamide
CID 123935037
N'-(4-amino-5-oxohexyl)-2-methylbutanimidamide
CID 123946366
N'-(2-methylpropyl)-3-oxopentanimidamide
CID 137470759
4-methyl-N'-(2-methylpropyl)-3-oxopentanimidamide
CID 140915576
N',3-dimethyl-4-(methylamino)-2-oxopentanimidamide
CID 141907045
2-(2-Amino-4-methyl-3-oxopentyl)guanidine;ethane
CID 143997249

Frequently Asked Questions

What is the IUPAC name of N'-(4-amino-3-oxopentyl)-2-methylbutanimidamide?
The IUPAC name of N'-(4-amino-3-oxopentyl)-2-methylbutanimidamide (CID 90867301) is N'-(4-amino-3-oxopentyl)-2-methylbutanimidamide.
What is the SMILES notation for N'-(4-amino-3-oxopentyl)-2-methylbutanimidamide?
The canonical SMILES for N'-(4-amino-3-oxopentyl)-2-methylbutanimidamide is CCC(C)/C(N)=N/CCC(=O)C(C)N.
What is the InChIKey of N'-(4-amino-3-oxopentyl)-2-methylbutanimidamide?
The InChIKey is VQVDTVAFUDCBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-4-7(2)10(12)13-6-5-9(14)8(3)11/h7-8H,4-6,11H2,1-3H3,(H2,12,13).
What are the key properties of N'-(4-amino-3-oxopentyl)-2-methylbutanimidamide?
N'-(4-amino-3-oxopentyl)-2-methylbutanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-amino-3-oxopentyl)-2-methylbutanimidamide is sourced from PubChem (CID 90867301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).