3-[cyclobutylmethyl(propan-2-yl)amino]propanimidamide

C11H23N3 — CID 65457368

IUPAC3-[cyclobutylmethyl(propan-2-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC1CCC1)C(C)C
InChIInChI=1S/C11H23N3/c1-9(2)14(7-6-11(12)13)8-10-4-3-5-10/h9-10H,3-8H2,1-2H3,(H3,12,13)
InChIKeyJQMRXNNVNKJDOT-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.82
Rot. Bonds6

About 3-[cyclobutylmethyl(propan-2-yl)amino]propanimidamide

3-[cyclobutylmethyl(propan-2-yl)amino]propanimidamide (PubChem CID 65457368) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 3-[cyclobutylmethyl(propan-2-yl)amino]propanimidamide.

Molecular Properties

Compound Name3-[cyclobutylmethyl(propan-2-yl)amino]propanimidamide
PubChem CID65457368
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name3-[cyclobutylmethyl(propan-2-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC1CCC1)C(C)C
InChIInChI=1S/C11H23N3/c1-9(2)14(7-6-11(12)13)8-10-4-3-5-10/h9-10H,3-8H2,1-2H3,(H3,12,13)
InChIKeyJQMRXNNVNKJDOT-UHFFFAOYSA-N
XLogP1.82
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.82
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(propan-2-yl)amino]propanimidamide?
The IUPAC name of 3-[cyclobutylmethyl(propan-2-yl)amino]propanimidamide (CID 65457368) is 3-[cyclobutylmethyl(propan-2-yl)amino]propanimidamide.
What is the SMILES notation for 3-[cyclobutylmethyl(propan-2-yl)amino]propanimidamide?
The canonical SMILES for 3-[cyclobutylmethyl(propan-2-yl)amino]propanimidamide is [H]/N=C(\N)CCN(CC1CCC1)C(C)C.
What is the InChIKey of 3-[cyclobutylmethyl(propan-2-yl)amino]propanimidamide?
The InChIKey is JQMRXNNVNKJDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-9(2)14(7-6-11(12)13)8-10-4-3-5-10/h9-10H,3-8H2,1-2H3,(H3,12,13).
What are the key properties of 3-[cyclobutylmethyl(propan-2-yl)amino]propanimidamide?
3-[cyclobutylmethyl(propan-2-yl)amino]propanimidamide has a molecular weight of 197.33 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutylmethyl(propan-2-yl)amino]propanimidamide is sourced from PubChem (CID 65457368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).