N-(3-aminopropyl)-N-ethenyl-N'-methylmethanimidamide

C7H15N3 — CID 142987772

IUPACN-(3-aminopropyl)-N-ethenyl-N'-methylmethanimidamide
SMILESC=CN(/C=N/C)CCCN
InChIInChI=1S/C7H15N3/c1-3-10(7-9-2)6-4-5-8/h3,7H,1,4-6,8H2,2H3/b9-7+
InChIKeySTYPSUUUJMSXSP-VQHVLOKHSA-N
MW141.22 g/mol
LogP0.44
Rot. Bonds5

About N-(3-aminopropyl)-N-ethenyl-N'-methylmethanimidamide

N-(3-aminopropyl)-N-ethenyl-N'-methylmethanimidamide (PubChem CID 142987772) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-ethenyl-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-ethenyl-N'-methylmethanimidamide
PubChem CID142987772
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC NameN-(3-aminopropyl)-N-ethenyl-N'-methylmethanimidamide
SMILESC=CN(/C=N/C)CCCN
InChIInChI=1S/C7H15N3/c1-3-10(7-9-2)6-4-5-8/h3,7H,1,4-6,8H2,2H3/b9-7+
InChIKeySTYPSUUUJMSXSP-VQHVLOKHSA-N
XLogP0.44
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.44
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-ethenyl-N'-methylmethanimidamide?
The IUPAC name of N-(3-aminopropyl)-N-ethenyl-N'-methylmethanimidamide (CID 142987772) is N-(3-aminopropyl)-N-ethenyl-N'-methylmethanimidamide.
What is the SMILES notation for N-(3-aminopropyl)-N-ethenyl-N'-methylmethanimidamide?
The canonical SMILES for N-(3-aminopropyl)-N-ethenyl-N'-methylmethanimidamide is C=CN(/C=N/C)CCCN.
What is the InChIKey of N-(3-aminopropyl)-N-ethenyl-N'-methylmethanimidamide?
The InChIKey is STYPSUUUJMSXSP-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H15N3/c1-3-10(7-9-2)6-4-5-8/h3,7H,1,4-6,8H2,2H3/b9-7+.
What are the key properties of N-(3-aminopropyl)-N-ethenyl-N'-methylmethanimidamide?
N-(3-aminopropyl)-N-ethenyl-N'-methylmethanimidamide has a molecular weight of 141.22 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-ethenyl-N'-methylmethanimidamide is sourced from PubChem (CID 142987772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).