3-[cyclobutylmethyl(cyclopropyl)amino]propanimidamide

C11H21N3 — CID 65457588

IUPAC3-[cyclobutylmethyl(cyclopropyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC1CCC1)C1CC1
InChIInChI=1S/C11H21N3/c12-11(13)6-7-14(10-4-5-10)8-9-2-1-3-9/h9-10H,1-8H2,(H3,12,13)
InChIKeyURIZZBRKBKKHAU-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.58
Rot. Bonds6

About 3-[cyclobutylmethyl(cyclopropyl)amino]propanimidamide

3-[cyclobutylmethyl(cyclopropyl)amino]propanimidamide (PubChem CID 65457588) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-[cyclobutylmethyl(cyclopropyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[cyclobutylmethyl(cyclopropyl)amino]propanimidamide
PubChem CID65457588
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3-[cyclobutylmethyl(cyclopropyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC1CCC1)C1CC1
InChIInChI=1S/C11H21N3/c12-11(13)6-7-14(10-4-5-10)8-9-2-1-3-9/h9-10H,1-8H2,(H3,12,13)
InChIKeyURIZZBRKBKKHAU-UHFFFAOYSA-N
XLogP1.58
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.58
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 3-[cyclobutylmethyl(cyclopropyl)amino]propanimidamide?
The IUPAC name of 3-[cyclobutylmethyl(cyclopropyl)amino]propanimidamide (CID 65457588) is 3-[cyclobutylmethyl(cyclopropyl)amino]propanimidamide.
What is the SMILES notation for 3-[cyclobutylmethyl(cyclopropyl)amino]propanimidamide?
The canonical SMILES for 3-[cyclobutylmethyl(cyclopropyl)amino]propanimidamide is [H]/N=C(\N)CCN(CC1CCC1)C1CC1.
What is the InChIKey of 3-[cyclobutylmethyl(cyclopropyl)amino]propanimidamide?
The InChIKey is URIZZBRKBKKHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c12-11(13)6-7-14(10-4-5-10)8-9-2-1-3-9/h9-10H,1-8H2,(H3,12,13).
What are the key properties of 3-[cyclobutylmethyl(cyclopropyl)amino]propanimidamide?
3-[cyclobutylmethyl(cyclopropyl)amino]propanimidamide has a molecular weight of 195.31 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutylmethyl(cyclopropyl)amino]propanimidamide is sourced from PubChem (CID 65457588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).