N'-(1-cyclopropylbutan-2-yl)cyclopropanecarboximidamide

C11H20N2 — CID 63993837

IUPACN'-(1-cyclopropylbutan-2-yl)cyclopropanecarboximidamide
SMILESCCC(CC1CC1)/N=C(\N)C1CC1
InChIInChI=1S/C11H20N2/c1-2-10(7-8-3-4-8)13-11(12)9-5-6-9/h8-10H,2-7H2,1H3,(H2,12,13)
InChIKeyOTAQXCRYYVGMJQ-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.33
Rot. Bonds5

About N'-(1-cyclopropylbutan-2-yl)cyclopropanecarboximidamide

N'-(1-cyclopropylbutan-2-yl)cyclopropanecarboximidamide (PubChem CID 63993837) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N'-(1-cyclopropylbutan-2-yl)cyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-(1-cyclopropylbutan-2-yl)cyclopropanecarboximidamide
PubChem CID63993837
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN'-(1-cyclopropylbutan-2-yl)cyclopropanecarboximidamide
SMILESCCC(CC1CC1)/N=C(\N)C1CC1
InChIInChI=1S/C11H20N2/c1-2-10(7-8-3-4-8)13-11(12)9-5-6-9/h8-10H,2-7H2,1H3,(H2,12,13)
InChIKeyOTAQXCRYYVGMJQ-UHFFFAOYSA-N
XLogP2.33
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'-(1-cyclopropylbutan-2-yl)cyclopropanecarboximidamide?
The IUPAC name of N'-(1-cyclopropylbutan-2-yl)cyclopropanecarboximidamide (CID 63993837) is N'-(1-cyclopropylbutan-2-yl)cyclopropanecarboximidamide.
What is the SMILES notation for N'-(1-cyclopropylbutan-2-yl)cyclopropanecarboximidamide?
The canonical SMILES for N'-(1-cyclopropylbutan-2-yl)cyclopropanecarboximidamide is CCC(CC1CC1)/N=C(\N)C1CC1.
What is the InChIKey of N'-(1-cyclopropylbutan-2-yl)cyclopropanecarboximidamide?
The InChIKey is OTAQXCRYYVGMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-2-10(7-8-3-4-8)13-11(12)9-5-6-9/h8-10H,2-7H2,1H3,(H2,12,13).
What are the key properties of N'-(1-cyclopropylbutan-2-yl)cyclopropanecarboximidamide?
N'-(1-cyclopropylbutan-2-yl)cyclopropanecarboximidamide has a molecular weight of 180.29 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-cyclopropylbutan-2-yl)cyclopropanecarboximidamide is sourced from PubChem (CID 63993837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).