1-cyclopentyl-2-cyclopropyl-1-(3-methylbutyl)guanidine

C14H27N3 — CID 78967131

IUPAC1-cyclopentyl-2-cyclopropyl-1-(3-methylbutyl)guanidine
SMILESCC(C)CCN(/C(N)=N/C1CC1)C1CCCC1
InChIInChI=1S/C14H27N3/c1-11(2)9-10-17(13-5-3-4-6-13)14(15)16-12-7-8-12/h11-13H,3-10H2,1-2H3,(H2,15,16)
InChIKeyBSRJLAVMDURLFR-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.75
Rot. Bonds5

About 1-cyclopentyl-2-cyclopropyl-1-(3-methylbutyl)guanidine

1-cyclopentyl-2-cyclopropyl-1-(3-methylbutyl)guanidine (PubChem CID 78967131) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-cyclopentyl-2-cyclopropyl-1-(3-methylbutyl)guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-cyclopropyl-1-(3-methylbutyl)guanidine
PubChem CID78967131
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-cyclopentyl-2-cyclopropyl-1-(3-methylbutyl)guanidine
SMILESCC(C)CCN(/C(N)=N/C1CC1)C1CCCC1
InChIInChI=1S/C14H27N3/c1-11(2)9-10-17(13-5-3-4-6-13)14(15)16-12-7-8-12/h11-13H,3-10H2,1-2H3,(H2,15,16)
InChIKeyBSRJLAVMDURLFR-UHFFFAOYSA-N
XLogP2.75
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.75
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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Related Compounds

1-cyclopentyl-2-cyclopropyl-1-(2-methylpropyl)guanidine
CID 78967117
1-cyclopropyl-2-ethyl-1-(3-methylbutyl)guanidine
CID 78989365
2-cyclohexyl-1,1-bis(2-methylpropyl)guanidine
CID 62362061
2-cyclohexyl-1-methyl-1-(2-methylpropyl)guanidine
CID 62362498
1-carbamothioyl-N-cyclopentyl-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 80591161
(2R)-2-amino-N-cyclopentyl-N-(3-methylbutyl)pentanamide
CID 103795443
2-cyclopentyl-1-propan-2-yl-1-propylguanidine
CID 62362054
2-amino-N-cyclopentyl-3-methoxy-N-(3-methylbutyl)propanamide
CID 81101488
2-cyclohexyl-1-(2-methoxyethyl)-1-propan-2-ylguanidine
CID 82951287
1-(2-cyanoethyl)-2-cyclopropyl-1-(2-methylpropyl)guanidine
CID 62361925
5-amino-N-cyclopentyl-2-methyl-N-(3-methylbutyl)pentanamide
CID 104685340
3-cyclobutyl-1-cyclopentyl-1-(3-methylbutyl)urea
CID 115642218

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-cyclopropyl-1-(3-methylbutyl)guanidine?
The IUPAC name of 1-cyclopentyl-2-cyclopropyl-1-(3-methylbutyl)guanidine (CID 78967131) is 1-cyclopentyl-2-cyclopropyl-1-(3-methylbutyl)guanidine.
What is the SMILES notation for 1-cyclopentyl-2-cyclopropyl-1-(3-methylbutyl)guanidine?
The canonical SMILES for 1-cyclopentyl-2-cyclopropyl-1-(3-methylbutyl)guanidine is CC(C)CCN(/C(N)=N/C1CC1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-cyclopropyl-1-(3-methylbutyl)guanidine?
The InChIKey is BSRJLAVMDURLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-11(2)9-10-17(13-5-3-4-6-13)14(15)16-12-7-8-12/h11-13H,3-10H2,1-2H3,(H2,15,16).
What are the key properties of 1-cyclopentyl-2-cyclopropyl-1-(3-methylbutyl)guanidine?
1-cyclopentyl-2-cyclopropyl-1-(3-methylbutyl)guanidine has a molecular weight of 237.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-cyclopropyl-1-(3-methylbutyl)guanidine is sourced from PubChem (CID 78967131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).