3-amino-N'-methylpropanimidamide

C4H11N3 — CID 15816396

IUPAC3-amino-N'-methylpropanimidamide
SMILESC/N=C(\N)CCN
InChIInChI=1S/C4H11N3/c1-7-4(6)2-3-5/h2-3,5H2,1H3,(H2,6,7)
InChIKeyLSXVWCKSOVWVMH-UHFFFAOYSA-N
MW101.15 g/mol
LogP-0.68
Rot. Bonds2

About 3-amino-N'-methylpropanimidamide

3-amino-N'-methylpropanimidamide (PubChem CID 15816396) has the molecular formula C4H11N3 and a molecular weight of 101.15 g/mol. Its IUPAC name is 3-amino-N'-methylpropanimidamide.

Molecular Properties

Compound Name3-amino-N'-methylpropanimidamide
PubChem CID15816396
Molecular FormulaC4H11N3
Molecular Weight101.15 g/mol
Exact Mass101.10
IUPAC Name3-amino-N'-methylpropanimidamide
SMILESC/N=C(\N)CCN
InChIInChI=1S/C4H11N3/c1-7-4(6)2-3-5/h2-3,5H2,1H3,(H2,6,7)
InChIKeyLSXVWCKSOVWVMH-UHFFFAOYSA-N
XLogP-0.68
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-methylpropanimidamide hydrochloride
CID 88163200
Ethyl acetimidamide
CID 11309506
5,6-Dihydrocytosine imine
CID 13206811
Diiminodipropylamine
CID 123307968
2-Amino-5-iminopyrrolidin
CID 129647390
5-Methyl-5,6-dihydrocytosine imine
CID 129671850
(1E)-N'-Methylpropanimidamide
CID 22463764
3-amino-2-fluoro-N'-(2-methylpropyl)propanimidamide
CID 137410372
N'-(2-fluoropropyl)propanimidamide
CID 144557665
N'-(cyanomethyl)propanimidamide
CID 10898674
1-N',3-N'-dimethylpropanediimidamide
CID 12526536
1-N',3-N'-diethylpropanediimidamide
CID 12526538

Frequently Asked Questions

What is the IUPAC name of 3-amino-N'-methylpropanimidamide?
The IUPAC name of 3-amino-N'-methylpropanimidamide (CID 15816396) is 3-amino-N'-methylpropanimidamide.
What is the SMILES notation for 3-amino-N'-methylpropanimidamide?
The canonical SMILES for 3-amino-N'-methylpropanimidamide is C/N=C(\N)CCN.
What is the InChIKey of 3-amino-N'-methylpropanimidamide?
The InChIKey is LSXVWCKSOVWVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3/c1-7-4(6)2-3-5/h2-3,5H2,1H3,(H2,6,7).
What are the key properties of 3-amino-N'-methylpropanimidamide?
3-amino-N'-methylpropanimidamide has a molecular weight of 101.15 g/mol, XLogP of -0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N'-methylpropanimidamide is sourced from PubChem (CID 15816396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).