N'-(2-methylpentan-3-yl)cyclopropanecarboximidamide

C10H20N2 — CID 63176981

IUPACN'-(2-methylpentan-3-yl)cyclopropanecarboximidamide
SMILESCCC(/N=C(\N)C1CC1)C(C)C
InChIInChI=1S/C10H20N2/c1-4-9(7(2)3)12-10(11)8-5-6-8/h7-9H,4-6H2,1-3H3,(H2,11,12)
InChIKeyMNDSRTSGKNQSFK-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.19
Rot. Bonds4

About N'-(2-methylpentan-3-yl)cyclopropanecarboximidamide

N'-(2-methylpentan-3-yl)cyclopropanecarboximidamide (PubChem CID 63176981) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N'-(2-methylpentan-3-yl)cyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-(2-methylpentan-3-yl)cyclopropanecarboximidamide
PubChem CID63176981
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN'-(2-methylpentan-3-yl)cyclopropanecarboximidamide
SMILESCCC(/N=C(\N)C1CC1)C(C)C
InChIInChI=1S/C10H20N2/c1-4-9(7(2)3)12-10(11)8-5-6-8/h7-9H,4-6H2,1-3H3,(H2,11,12)
InChIKeyMNDSRTSGKNQSFK-UHFFFAOYSA-N
XLogP2.19
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.19
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'-(2-methylpentan-3-yl)cyclopropanecarboximidamide?
The IUPAC name of N'-(2-methylpentan-3-yl)cyclopropanecarboximidamide (CID 63176981) is N'-(2-methylpentan-3-yl)cyclopropanecarboximidamide.
What is the SMILES notation for N'-(2-methylpentan-3-yl)cyclopropanecarboximidamide?
The canonical SMILES for N'-(2-methylpentan-3-yl)cyclopropanecarboximidamide is CCC(/N=C(\N)C1CC1)C(C)C.
What is the InChIKey of N'-(2-methylpentan-3-yl)cyclopropanecarboximidamide?
The InChIKey is MNDSRTSGKNQSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-9(7(2)3)12-10(11)8-5-6-8/h7-9H,4-6H2,1-3H3,(H2,11,12).
What are the key properties of N'-(2-methylpentan-3-yl)cyclopropanecarboximidamide?
N'-(2-methylpentan-3-yl)cyclopropanecarboximidamide has a molecular weight of 168.28 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpentan-3-yl)cyclopropanecarboximidamide is sourced from PubChem (CID 63176981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).