1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyclopentylguanidine

C15H27N3 — CID 62364272

IUPAC1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyclopentylguanidine
SMILESCC(N/C(N)=N/C1CCCC1)C1CC2CCC1C2
InChIInChI=1S/C15H27N3/c1-10(14-9-11-6-7-12(14)8-11)17-15(16)18-13-4-2-3-5-13/h10-14H,2-9H2,1H3,(H3,16,17,18)
InChIKeyZGPPCYVRDIHWPI-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.66
Rot. Bonds3

About 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyclopentylguanidine

1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyclopentylguanidine (PubChem CID 62364272) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyclopentylguanidine.

Molecular Properties

Compound Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyclopentylguanidine
PubChem CID62364272
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyclopentylguanidine
SMILESCC(N/C(N)=N/C1CCCC1)C1CC2CCC1C2
InChIInChI=1S/C15H27N3/c1-10(14-9-11-6-7-12(14)8-11)17-15(16)18-13-4-2-3-5-13/h10-14H,2-9H2,1H3,(H3,16,17,18)
InChIKeyZGPPCYVRDIHWPI-UHFFFAOYSA-N
XLogP2.66
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.66
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

[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]urea
CID 98054797
1-N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclohexane-1,4-dicarboxamide
CID 98390836
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103977834
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide
CID 60651144
3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103549827
(1S,2S,3R,4S)-3-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 124712417
1-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-methylthiourea
CID 98393045
(1S,5R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 124740567
2-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylsulfanylbutanamide
CID 76892242
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-carbamothioylcyclobutane-1-carboxamide
CID 80593373
ethyl N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamate
CID 98277095
2-cyclohexyl-1-(5-methylhexan-2-yl)guanidine
CID 63925710

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyclopentylguanidine?
The IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyclopentylguanidine (CID 62364272) is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyclopentylguanidine.
What is the SMILES notation for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyclopentylguanidine?
The canonical SMILES for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyclopentylguanidine is CC(N/C(N)=N/C1CCCC1)C1CC2CCC1C2.
What is the InChIKey of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyclopentylguanidine?
The InChIKey is ZGPPCYVRDIHWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-10(14-9-11-6-7-12(14)8-11)17-15(16)18-13-4-2-3-5-13/h10-14H,2-9H2,1H3,(H3,16,17,18).
What are the key properties of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyclopentylguanidine?
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyclopentylguanidine has a molecular weight of 249.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyclopentylguanidine is sourced from PubChem (CID 62364272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).