N'-[(3-methylcyclopentyl)methyl]propanimidamide

C10H20N2 — CID 107415433

IUPACN'-[(3-methylcyclopentyl)methyl]propanimidamide
SMILESCC/C(N)=N\CC1CCC(C)C1
InChIInChI=1S/C10H20N2/c1-3-10(11)12-7-9-5-4-8(2)6-9/h8-9H,3-7H2,1-2H3,(H2,11,12)
InChIKeyYDYZRJUTISTMTI-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.19
Rot. Bonds3

About N'-[(3-methylcyclopentyl)methyl]propanimidamide

N'-[(3-methylcyclopentyl)methyl]propanimidamide (PubChem CID 107415433) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N'-[(3-methylcyclopentyl)methyl]propanimidamide.

Molecular Properties

Compound NameN'-[(3-methylcyclopentyl)methyl]propanimidamide
PubChem CID107415433
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN'-[(3-methylcyclopentyl)methyl]propanimidamide
SMILESCC/C(N)=N\CC1CCC(C)C1
InChIInChI=1S/C10H20N2/c1-3-10(11)12-7-9-5-4-8(2)6-9/h8-9H,3-7H2,1-2H3,(H2,11,12)
InChIKeyYDYZRJUTISTMTI-UHFFFAOYSA-N
XLogP2.19
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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'-[(3-methylcyclopentyl)methyl]propanimidamide?
The IUPAC name of N'-[(3-methylcyclopentyl)methyl]propanimidamide (CID 107415433) is N'-[(3-methylcyclopentyl)methyl]propanimidamide.
What is the SMILES notation for N'-[(3-methylcyclopentyl)methyl]propanimidamide?
The canonical SMILES for N'-[(3-methylcyclopentyl)methyl]propanimidamide is CC/C(N)=N\CC1CCC(C)C1.
What is the InChIKey of N'-[(3-methylcyclopentyl)methyl]propanimidamide?
The InChIKey is YDYZRJUTISTMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-10(11)12-7-9-5-4-8(2)6-9/h8-9H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of N'-[(3-methylcyclopentyl)methyl]propanimidamide?
N'-[(3-methylcyclopentyl)methyl]propanimidamide has a molecular weight of 168.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-methylcyclopentyl)methyl]propanimidamide is sourced from PubChem (CID 107415433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).