N'-(3-methyl-2-propan-2-ylbutyl)cyclopropanecarboximidamide

C12H24N2 — CID 102908263

IUPACN'-(3-methyl-2-propan-2-ylbutyl)cyclopropanecarboximidamide
SMILESCC(C)C(C/N=C(\N)C1CC1)C(C)C
InChIInChI=1S/C12H24N2/c1-8(2)11(9(3)4)7-14-12(13)10-5-6-10/h8-11H,5-7H2,1-4H3,(H2,13,14)
InChIKeyHIDYWAOHYZZRGY-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.68
Rot. Bonds5

About N'-(3-methyl-2-propan-2-ylbutyl)cyclopropanecarboximidamide

N'-(3-methyl-2-propan-2-ylbutyl)cyclopropanecarboximidamide (PubChem CID 102908263) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N'-(3-methyl-2-propan-2-ylbutyl)cyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-(3-methyl-2-propan-2-ylbutyl)cyclopropanecarboximidamide
PubChem CID102908263
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN'-(3-methyl-2-propan-2-ylbutyl)cyclopropanecarboximidamide
SMILESCC(C)C(C/N=C(\N)C1CC1)C(C)C
InChIInChI=1S/C12H24N2/c1-8(2)11(9(3)4)7-14-12(13)10-5-6-10/h8-11H,5-7H2,1-4H3,(H2,13,14)
InChIKeyHIDYWAOHYZZRGY-UHFFFAOYSA-N
XLogP2.68
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.68
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'-(3-methyl-2-propan-2-ylbutyl)cyclopropanecarboximidamide?
The IUPAC name of N'-(3-methyl-2-propan-2-ylbutyl)cyclopropanecarboximidamide (CID 102908263) is N'-(3-methyl-2-propan-2-ylbutyl)cyclopropanecarboximidamide.
What is the SMILES notation for N'-(3-methyl-2-propan-2-ylbutyl)cyclopropanecarboximidamide?
The canonical SMILES for N'-(3-methyl-2-propan-2-ylbutyl)cyclopropanecarboximidamide is CC(C)C(C/N=C(\N)C1CC1)C(C)C.
What is the InChIKey of N'-(3-methyl-2-propan-2-ylbutyl)cyclopropanecarboximidamide?
The InChIKey is HIDYWAOHYZZRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-8(2)11(9(3)4)7-14-12(13)10-5-6-10/h8-11H,5-7H2,1-4H3,(H2,13,14).
What are the key properties of N'-(3-methyl-2-propan-2-ylbutyl)cyclopropanecarboximidamide?
N'-(3-methyl-2-propan-2-ylbutyl)cyclopropanecarboximidamide has a molecular weight of 196.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methyl-2-propan-2-ylbutyl)cyclopropanecarboximidamide is sourced from PubChem (CID 102908263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).