N'-[3-(dimethylamino)propyl]ethanimidamide

C7H17N3 — CID 2776968

IUPACN'-[3-(dimethylamino)propyl]ethanimidamide
SMILESC/C(N)=N\CCCN(C)C
InChIInChI=1S/C7H17N3/c1-7(8)9-5-4-6-10(2)3/h4-6H2,1-3H3,(H2,8,9)
InChIKeyRQOAIBMORQPIBH-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.32
Rot. Bonds4

About N'-[3-(dimethylamino)propyl]ethanimidamide

N'-[3-(dimethylamino)propyl]ethanimidamide (PubChem CID 2776968) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is N'-[3-(dimethylamino)propyl]ethanimidamide.

Molecular Properties

Compound NameN'-[3-(dimethylamino)propyl]ethanimidamide
PubChem CID2776968
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC NameN'-[3-(dimethylamino)propyl]ethanimidamide
SMILESC/C(N)=N\CCCN(C)C
InChIInChI=1S/C7H17N3/c1-7(8)9-5-4-6-10(2)3/h4-6H2,1-3H3,(H2,8,9)
InChIKeyRQOAIBMORQPIBH-UHFFFAOYSA-N
XLogP0.32
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(dimethylamino)propyl]ethanimidamide?
The IUPAC name of N'-[3-(dimethylamino)propyl]ethanimidamide (CID 2776968) is N'-[3-(dimethylamino)propyl]ethanimidamide.
What is the SMILES notation for N'-[3-(dimethylamino)propyl]ethanimidamide?
The canonical SMILES for N'-[3-(dimethylamino)propyl]ethanimidamide is C/C(N)=N\CCCN(C)C.
What is the InChIKey of N'-[3-(dimethylamino)propyl]ethanimidamide?
The InChIKey is RQOAIBMORQPIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3/c1-7(8)9-5-4-6-10(2)3/h4-6H2,1-3H3,(H2,8,9).
What are the key properties of N'-[3-(dimethylamino)propyl]ethanimidamide?
N'-[3-(dimethylamino)propyl]ethanimidamide has a molecular weight of 143.23 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dimethylamino)propyl]ethanimidamide is sourced from PubChem (CID 2776968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).