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

C7H15N3 — CID 130349863

IUPACN-[2-(aminomethyl)but-3-enyl]-N'-methylmethanimidamide
SMILESC=CC(CN)CN/C=N/C
InChIInChI=1S/C7H15N3/c1-3-7(4-8)5-10-6-9-2/h3,6-7H,1,4-5,8H2,2H3,(H,9,10)
InChIKeyRQQHYMIFGHLWLQ-UHFFFAOYSA-N
MW141.22 g/mol
LogP-0.00
Rot. Bonds5

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

N-[2-(aminomethyl)but-3-enyl]-N'-methylmethanimidamide (PubChem CID 130349863) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is N-[2-(aminomethyl)but-3-enyl]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)but-3-enyl]-N'-methylmethanimidamide
PubChem CID130349863
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC NameN-[2-(aminomethyl)but-3-enyl]-N'-methylmethanimidamide
SMILESC=CC(CN)CN/C=N/C
InChIInChI=1S/C7H15N3/c1-3-7(4-8)5-10-6-9-2/h3,6-7H,1,4-5,8H2,2H3,(H,9,10)
InChIKeyRQQHYMIFGHLWLQ-UHFFFAOYSA-N
XLogP-0.00
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 5-0.00
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

1-But-3-enyl-2-methylguanidine
CID 116035410
N'-methyl-N-pent-3-enylmethanimidamide
CID 123321967
N'-[2-(aminomethyl)but-3-enyl]methanimidamide
CID 130349858
5-Ethenyl-2-methyl-1,4,5,6-tetrahydropyrimidine
CID 130350099
N'-but-3-enyl-N-ethylmethanimidamide
CID 137391848
N'-methyl-N-[(Z)-pent-3-enyl]methanimidamide
CID 146539364
N'-[1-(methylamino)but-3-enyl]-N-methylidenemethanimidamide
CID 163883450
(5S)-5-methyl-6-methylidene-4,5-dihydro-1H-pyrimidine
CID 173903023
1-But-3-enyl-2-(2-methylpropyl)guanidine
CID 116035418

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)but-3-enyl]-N'-methylmethanimidamide?
The IUPAC name of N-[2-(aminomethyl)but-3-enyl]-N'-methylmethanimidamide (CID 130349863) is N-[2-(aminomethyl)but-3-enyl]-N'-methylmethanimidamide.
What is the SMILES notation for N-[2-(aminomethyl)but-3-enyl]-N'-methylmethanimidamide?
The canonical SMILES for N-[2-(aminomethyl)but-3-enyl]-N'-methylmethanimidamide is C=CC(CN)CN/C=N/C.
What is the InChIKey of N-[2-(aminomethyl)but-3-enyl]-N'-methylmethanimidamide?
The InChIKey is RQQHYMIFGHLWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-3-7(4-8)5-10-6-9-2/h3,6-7H,1,4-5,8H2,2H3,(H,9,10).
What are the key properties of N-[2-(aminomethyl)but-3-enyl]-N'-methylmethanimidamide?
N-[2-(aminomethyl)but-3-enyl]-N'-methylmethanimidamide has a molecular weight of 141.22 g/mol, XLogP of -0.00, 5 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]-N'-methylmethanimidamide is sourced from PubChem (CID 130349863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).