1,1,3,3-tetracyclopentylguanidine

C21H37N3 — CID 68836452

IUPAC1,1,3,3-tetracyclopentylguanidine
SMILES[H]N=C(N(C1CCCC1)C1CCCC1)N(C1CCCC1)C1CCCC1
InChIInChI=1S/C21H37N3/c22-21(23(17-9-1-2-10-17)18-11-3-4-12-18)24(19-13-5-6-14-19)20-15-7-8-16-20/h17-20,22H,1-16H2
InChIKeySUWODBABOBOTDL-UHFFFAOYSA-N
MW331.55 g/mol
LogP5.30
Rot. Bonds4

About 1,1,3,3-tetracyclopentylguanidine

1,1,3,3-tetracyclopentylguanidine (PubChem CID 68836452) has the molecular formula C21H37N3 and a molecular weight of 331.55 g/mol. Its IUPAC name is 1,1,3,3-tetracyclopentylguanidine.

Molecular Properties

Compound Name1,1,3,3-tetracyclopentylguanidine
PubChem CID68836452
Molecular FormulaC21H37N3
Molecular Weight331.55 g/mol
Exact Mass331.30
IUPAC Name1,1,3,3-tetracyclopentylguanidine
SMILES[H]N=C(N(C1CCCC1)C1CCCC1)N(C1CCCC1)C1CCCC1
InChIInChI=1S/C21H37N3/c22-21(23(17-9-1-2-10-17)18-11-3-4-12-18)24(19-13-5-6-14-19)20-15-7-8-16-20/h17-20,22H,1-16H2
InChIKeySUWODBABOBOTDL-UHFFFAOYSA-N
XLogP5.30
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.55
LogP ≤ 55.30
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-N',1-N'-di(cyclobutyl)-1-N,1-N-dicyclohexylethene-1,1-diamine
CID 20530659
1,1,3,3-tetracyclohexylselenourea
CID 134917279
1,1,3,3-tetracyclohexylthiourea
CID 12935848
1,1-dicyclopentylguanidine
CID 19841614
N,N-dicyclohexyl-2-iodoacetamide
CID 71405486
CID 87476940
CID 87476940
N,N-dicyclopentylhydroxylamine
CID 87342737
N,N-dicyclohexylcyclobutanecarboxamide
CID 841777
N,N-diethylcycloundecanamine
CID 163828609
[cyclohexyl(hydroxymethyl)amino]methanol
CID 14205712
bis(N,N-dicyclohexylcarbamodithioate);molybdenum;disulfide
CID 173360149
1-cyclopentyl-1-ethylthiourea
CID 43541105

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetracyclopentylguanidine?
The IUPAC name of 1,1,3,3-tetracyclopentylguanidine (CID 68836452) is 1,1,3,3-tetracyclopentylguanidine.
What is the SMILES notation for 1,1,3,3-tetracyclopentylguanidine?
The canonical SMILES for 1,1,3,3-tetracyclopentylguanidine is [H]N=C(N(C1CCCC1)C1CCCC1)N(C1CCCC1)C1CCCC1.
What is the InChIKey of 1,1,3,3-tetracyclopentylguanidine?
The InChIKey is SUWODBABOBOTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3/c22-21(23(17-9-1-2-10-17)18-11-3-4-12-18)24(19-13-5-6-14-19)20-15-7-8-16-20/h17-20,22H,1-16H2.
What are the key properties of 1,1,3,3-tetracyclopentylguanidine?
1,1,3,3-tetracyclopentylguanidine has a molecular weight of 331.55 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetracyclopentylguanidine is sourced from PubChem (CID 68836452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).