2-amino-N'-prop-1-en-2-ylethanimidamide

C5H11N3 — CID 126539608

IUPAC2-amino-N'-prop-1-en-2-ylethanimidamide
SMILESC=C(C)/N=C(/N)CN
InChIInChI=1S/C5H11N3/c1-4(2)8-5(7)3-6/h1,3,6H2,2H3,(H2,7,8)
InChIKeyMXDDIKXRRMDRAC-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.16
Rot. Bonds2

About 2-amino-N'-prop-1-en-2-ylethanimidamide

2-amino-N'-prop-1-en-2-ylethanimidamide (PubChem CID 126539608) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-amino-N'-prop-1-en-2-ylethanimidamide.

Molecular Properties

Compound Name2-amino-N'-prop-1-en-2-ylethanimidamide
PubChem CID126539608
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name2-amino-N'-prop-1-en-2-ylethanimidamide
SMILESC=C(C)/N=C(/N)CN
InChIInChI=1S/C5H11N3/c1-4(2)8-5(7)3-6/h1,3,6H2,2H3,(H2,7,8)
InChIKeyMXDDIKXRRMDRAC-UHFFFAOYSA-N
XLogP-0.16
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.16
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

2-(propan-2-ylideneamino)prop-2-en-1-amine
CID 167219990
N'-(N'-prop-1-en-2-ylcarbamimidoyl)ethanimidamide
CID 91589459
(1-amino-3-oxobutylidene)urea
CID 123425650
(Z)-4-prop-1-en-2-yliminopent-2-en-2-amine
CID 142163873
aminomethanol;2-methylprop-2-enoic acid
CID 122684678
(2E)-2,4-dimethylpenta-2,4-dien-1-amine
CID 126656213
2-amino-N'-tert-butylethanimidamide
CID 152854790
prop-1-en-2-amine;yttrium
CID 158882655
(2Z)-2-(ethylideneamino)-4-methylpenta-2,4-dien-1-amine
CID 142082963
N'-(1-sulfanylethenyl)ethanimidamide
CID 154550789
3,4-dimethyl-N-prop-1-en-2-ylpent-3-en-2-imine
CID 144835890
ethane;N'-hept-1-en-2-ylethanimidamide
CID 145472363

Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-prop-1-en-2-ylethanimidamide?
The IUPAC name of 2-amino-N'-prop-1-en-2-ylethanimidamide (CID 126539608) is 2-amino-N'-prop-1-en-2-ylethanimidamide.
What is the SMILES notation for 2-amino-N'-prop-1-en-2-ylethanimidamide?
The canonical SMILES for 2-amino-N'-prop-1-en-2-ylethanimidamide is C=C(C)/N=C(/N)CN.
What is the InChIKey of 2-amino-N'-prop-1-en-2-ylethanimidamide?
The InChIKey is MXDDIKXRRMDRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c1-4(2)8-5(7)3-6/h1,3,6H2,2H3,(H2,7,8).
What are the key properties of 2-amino-N'-prop-1-en-2-ylethanimidamide?
2-amino-N'-prop-1-en-2-ylethanimidamide has a molecular weight of 113.16 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-prop-1-en-2-ylethanimidamide is sourced from PubChem (CID 126539608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).