N'-[2-(aminomethyl)but-3-enyl]methanimidamide

C6H13N3 — CID 130349858

IUPACN'-[2-(aminomethyl)but-3-enyl]methanimidamide
SMILESC=CC(CN)C/N=C/N
InChIInChI=1S/C6H13N3/c1-2-6(3-7)4-9-5-8/h2,5-6H,1,3-4,7H2,(H2,8,9)
InChIKeyOUSKPWXREIJGSP-UHFFFAOYSA-N
MW127.19 g/mol
LogP-0.27
Rot. Bonds4

About N'-[2-(aminomethyl)but-3-enyl]methanimidamide

N'-[2-(aminomethyl)but-3-enyl]methanimidamide (PubChem CID 130349858) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N'-[2-(aminomethyl)but-3-enyl]methanimidamide.

Molecular Properties

Compound NameN'-[2-(aminomethyl)but-3-enyl]methanimidamide
PubChem CID130349858
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN'-[2-(aminomethyl)but-3-enyl]methanimidamide
SMILESC=CC(CN)C/N=C/N
InChIInChI=1S/C6H13N3/c1-2-6(3-7)4-9-5-8/h2,5-6H,1,3-4,7H2,(H2,8,9)
InChIKeyOUSKPWXREIJGSP-UHFFFAOYSA-N
XLogP-0.27
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.27
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E,5R)-5-ethenylhex-2-ene-1,6-diamine
CID 124537933
N'-(2-methylbutyl)methanimidamide
CID 88931740
N'-cyclohexyl-2-ethenylpropane-1,3-diamine
CID 144798996
4-fluoro-3-(fluoromethyl)but-1-ene
CID 123606349
(3R)-3-ethylpent-4-en-1-amine
CID 122576147
2-buta-1,3-dienylbutane-1,4-diamine
CID 123937470
(2R)-2-N-methylbut-3-ene-1,2-diamine
CID 139310279
N'-(3-hydroxy-2-phenylpropyl)methanimidamide
CID 143527635
7-amino-2-ethenylheptane-1-thiol
CID 166703636
5-ethenyldeca-2,8-diene-1,10-diamine
CID 74060050
2-prop-2-enylpropane-1,3-diamine
CID 19088326
propane-1,2-diamine;prop-1-ene
CID 161476573

Frequently Asked Questions

What is the IUPAC name of N'-[2-(aminomethyl)but-3-enyl]methanimidamide?
The IUPAC name of N'-[2-(aminomethyl)but-3-enyl]methanimidamide (CID 130349858) is N'-[2-(aminomethyl)but-3-enyl]methanimidamide.
What is the SMILES notation for N'-[2-(aminomethyl)but-3-enyl]methanimidamide?
The canonical SMILES for N'-[2-(aminomethyl)but-3-enyl]methanimidamide is C=CC(CN)C/N=C/N.
What is the InChIKey of N'-[2-(aminomethyl)but-3-enyl]methanimidamide?
The InChIKey is OUSKPWXREIJGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-2-6(3-7)4-9-5-8/h2,5-6H,1,3-4,7H2,(H2,8,9).
What are the key properties of N'-[2-(aminomethyl)but-3-enyl]methanimidamide?
N'-[2-(aminomethyl)but-3-enyl]methanimidamide has a molecular weight of 127.19 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(aminomethyl)but-3-enyl]methanimidamide is sourced from PubChem (CID 130349858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).