N'-(methylamino)-N-propylideneethanimidamide

C6H13N3 — CID 166794692

IUPACN'-(methylamino)-N-propylideneethanimidamide
SMILESCC/C=N/C(C)=N\NC
InChIInChI=1S/C6H13N3/c1-4-5-8-6(2)9-7-3/h5,7H,4H2,1-3H3/b8-5+,9-6-
InChIKeyKVYYTAQCPLLNFP-OWNHSFIXSA-N
MW127.19 g/mol
LogP1.02
Rot. Bonds2

About N'-(methylamino)-N-propylideneethanimidamide

N'-(methylamino)-N-propylideneethanimidamide (PubChem CID 166794692) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N'-(methylamino)-N-propylideneethanimidamide.

Molecular Properties

Compound NameN'-(methylamino)-N-propylideneethanimidamide
PubChem CID166794692
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN'-(methylamino)-N-propylideneethanimidamide
SMILESCC/C=N/C(C)=N\NC
InChIInChI=1S/C6H13N3/c1-4-5-8-6(2)9-7-3/h5,7H,4H2,1-3H3/b8-5+,9-6-
InChIKeyKVYYTAQCPLLNFP-OWNHSFIXSA-N
XLogP1.02
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.02
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(methylamino)-N-propylideneethanimidamide?
The IUPAC name of N'-(methylamino)-N-propylideneethanimidamide (CID 166794692) is N'-(methylamino)-N-propylideneethanimidamide.
What is the SMILES notation for N'-(methylamino)-N-propylideneethanimidamide?
The canonical SMILES for N'-(methylamino)-N-propylideneethanimidamide is CC/C=N/C(C)=N\NC.
What is the InChIKey of N'-(methylamino)-N-propylideneethanimidamide?
The InChIKey is KVYYTAQCPLLNFP-OWNHSFIXSA-N. The full InChI is InChI=1S/C6H13N3/c1-4-5-8-6(2)9-7-3/h5,7H,4H2,1-3H3/b8-5+,9-6-.
What are the key properties of N'-(methylamino)-N-propylideneethanimidamide?
N'-(methylamino)-N-propylideneethanimidamide has a molecular weight of 127.19 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(methylamino)-N-propylideneethanimidamide is sourced from PubChem (CID 166794692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).