3-cyclopentylpropanimidamide

C8H16N2 — CID 83681795

IUPAC3-cyclopentylpropanimidamide
SMILES[H]/N=C(\N)CCC1CCCC1
InChIInChI=1S/C8H16N2/c9-8(10)6-5-7-3-1-2-4-7/h7H,1-6H2,(H3,9,10)
InChIKeyFFXBWQIWKDWRTC-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.89
Rot. Bonds3

About 3-cyclopentylpropanimidamide

3-cyclopentylpropanimidamide (PubChem CID 83681795) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-cyclopentylpropanimidamide.

Molecular Properties

Compound Name3-cyclopentylpropanimidamide
PubChem CID83681795
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3-cyclopentylpropanimidamide
SMILES[H]/N=C(\N)CCC1CCCC1
InChIInChI=1S/C8H16N2/c9-8(10)6-5-7-3-1-2-4-7/h7H,1-6H2,(H3,9,10)
InChIKeyFFXBWQIWKDWRTC-UHFFFAOYSA-N
XLogP1.89
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.89
H-Bond Donors ≤ 52
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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Related Compounds

5-(2-cyclobutylethoxy)pentanimidamide
CID 106202150
4-(3-amino-3-iminopropyl)piperidine-1-carboximidamide
CID 142657807
3-cyclopentylpropanamide;molecular hydrogen
CID 142041552
3-[4-[3-[1-(3-amino-3-iminopropyl)piperidin-4-yl]propyl]piperidin-1-yl]propanimidamide
CID 4108841
2-[7-(2-carbamimidoylsulfanylethyl)cyclododecyl]ethyl carbamimidothioate
CID 170227665
3-[cyclobutylmethyl(cyclopropyl)amino]propanimidamide
CID 65457588
butanediimidamide;dihydrochloride
CID 88614640
3-[cyclobutylmethyl(propan-2-yl)amino]propanimidamide
CID 65457368
4-cyclohexyl-2-oxobutanamide
CID 69253318
3-cyclohexylpropanamide;ethane;methanamine
CID 178116013
2-cyclopentylsulfanylethanimidamide
CID 63114985
calcium;3-cyclopentylpropanoic acid;hydride
CID 173013179

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylpropanimidamide?
The IUPAC name of 3-cyclopentylpropanimidamide (CID 83681795) is 3-cyclopentylpropanimidamide.
What is the SMILES notation for 3-cyclopentylpropanimidamide?
The canonical SMILES for 3-cyclopentylpropanimidamide is [H]/N=C(\N)CCC1CCCC1.
What is the InChIKey of 3-cyclopentylpropanimidamide?
The InChIKey is FFXBWQIWKDWRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c9-8(10)6-5-7-3-1-2-4-7/h7H,1-6H2,(H3,9,10).
What are the key properties of 3-cyclopentylpropanimidamide?
3-cyclopentylpropanimidamide has a molecular weight of 140.23 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylpropanimidamide is sourced from PubChem (CID 83681795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).