2-[cyclopropylmethyl(propyl)amino]ethanimidamide

C9H19N3 — CID 61441797

IUPAC2-[cyclopropylmethyl(propyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(CCC)CC1CC1
InChIInChI=1S/C9H19N3/c1-2-5-12(7-9(10)11)6-8-3-4-8/h8H,2-7H2,1H3,(H3,10,11)
InChIKeyHDJFTQGOFDCMNY-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.04
Rot. Bonds6

About 2-[cyclopropylmethyl(propyl)amino]ethanimidamide

2-[cyclopropylmethyl(propyl)amino]ethanimidamide (PubChem CID 61441797) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(propyl)amino]ethanimidamide.

Molecular Properties

Compound Name2-[cyclopropylmethyl(propyl)amino]ethanimidamide
PubChem CID61441797
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name2-[cyclopropylmethyl(propyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(CCC)CC1CC1
InChIInChI=1S/C9H19N3/c1-2-5-12(7-9(10)11)6-8-3-4-8/h8H,2-7H2,1H3,(H3,10,11)
InChIKeyHDJFTQGOFDCMNY-UHFFFAOYSA-N
XLogP1.04
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.04
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 2-[cyclopropylmethyl(propyl)amino]ethanimidamide?
The IUPAC name of 2-[cyclopropylmethyl(propyl)amino]ethanimidamide (CID 61441797) is 2-[cyclopropylmethyl(propyl)amino]ethanimidamide.
What is the SMILES notation for 2-[cyclopropylmethyl(propyl)amino]ethanimidamide?
The canonical SMILES for 2-[cyclopropylmethyl(propyl)amino]ethanimidamide is [H]/N=C(\N)CN(CCC)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl(propyl)amino]ethanimidamide?
The InChIKey is HDJFTQGOFDCMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-2-5-12(7-9(10)11)6-8-3-4-8/h8H,2-7H2,1H3,(H3,10,11).
What are the key properties of 2-[cyclopropylmethyl(propyl)amino]ethanimidamide?
2-[cyclopropylmethyl(propyl)amino]ethanimidamide has a molecular weight of 169.27 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(propyl)amino]ethanimidamide is sourced from PubChem (CID 61441797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).