N-(3-aminopropyl)-N-methylethanimidamide

C6H15N3 — CID 166905303

IUPACN-(3-aminopropyl)-N-methylethanimidamide
SMILES[H]/N=C(\C)N(C)CCCN
InChIInChI=1S/C6H15N3/c1-6(8)9(2)5-3-4-7/h8H,3-5,7H2,1-2H3/b8-6+
InChIKeyQSONPPVCYGVNLR-SOFGYWHQSA-N
MW129.21 g/mol
LogP0.26
Rot. Bonds3

About N-(3-aminopropyl)-N-methylethanimidamide

N-(3-aminopropyl)-N-methylethanimidamide (PubChem CID 166905303) has the molecular formula C6H15N3 and a molecular weight of 129.21 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methylethanimidamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methylethanimidamide
PubChem CID166905303
Molecular FormulaC6H15N3
Molecular Weight129.21 g/mol
Exact Mass129.13
IUPAC NameN-(3-aminopropyl)-N-methylethanimidamide
SMILES[H]/N=C(\C)N(C)CCCN
InChIInChI=1S/C6H15N3/c1-6(8)9(2)5-3-4-7/h8H,3-5,7H2,1-2H3/b8-6+
InChIKeyQSONPPVCYGVNLR-SOFGYWHQSA-N
XLogP0.26
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.21
LogP ≤ 50.26
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methylethanimidamide?
The IUPAC name of N-(3-aminopropyl)-N-methylethanimidamide (CID 166905303) is N-(3-aminopropyl)-N-methylethanimidamide.
What is the SMILES notation for N-(3-aminopropyl)-N-methylethanimidamide?
The canonical SMILES for N-(3-aminopropyl)-N-methylethanimidamide is [H]/N=C(\C)N(C)CCCN.
What is the InChIKey of N-(3-aminopropyl)-N-methylethanimidamide?
The InChIKey is QSONPPVCYGVNLR-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H15N3/c1-6(8)9(2)5-3-4-7/h8H,3-5,7H2,1-2H3/b8-6+.
What are the key properties of N-(3-aminopropyl)-N-methylethanimidamide?
N-(3-aminopropyl)-N-methylethanimidamide has a molecular weight of 129.21 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-methylethanimidamide is sourced from PubChem (CID 166905303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).