2-cyclopentyl-1-propan-2-yl-1-propylguanidine

C12H25N3 — CID 62362054

IUPAC2-cyclopentyl-1-propan-2-yl-1-propylguanidine
SMILESCCCN(/C(N)=N/C1CCCC1)C(C)C
InChIInChI=1S/C12H25N3/c1-4-9-15(10(2)3)12(13)14-11-7-5-6-8-11/h10-11H,4-9H2,1-3H3,(H2,13,14)
InChIKeyFSFZCZVTDTXHRC-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.36
Rot. Bonds4

About 2-cyclopentyl-1-propan-2-yl-1-propylguanidine

2-cyclopentyl-1-propan-2-yl-1-propylguanidine (PubChem CID 62362054) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-cyclopentyl-1-propan-2-yl-1-propylguanidine.

Molecular Properties

Compound Name2-cyclopentyl-1-propan-2-yl-1-propylguanidine
PubChem CID62362054
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name2-cyclopentyl-1-propan-2-yl-1-propylguanidine
SMILESCCCN(/C(N)=N/C1CCCC1)C(C)C
InChIInChI=1S/C12H25N3/c1-4-9-15(10(2)3)12(13)14-11-7-5-6-8-11/h10-11H,4-9H2,1-3H3,(H2,13,14)
InChIKeyFSFZCZVTDTXHRC-UHFFFAOYSA-N
XLogP2.36
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.36
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 2-cyclopentyl-1-propan-2-yl-1-propylguanidine?
The IUPAC name of 2-cyclopentyl-1-propan-2-yl-1-propylguanidine (CID 62362054) is 2-cyclopentyl-1-propan-2-yl-1-propylguanidine.
What is the SMILES notation for 2-cyclopentyl-1-propan-2-yl-1-propylguanidine?
The canonical SMILES for 2-cyclopentyl-1-propan-2-yl-1-propylguanidine is CCCN(/C(N)=N/C1CCCC1)C(C)C.
What is the InChIKey of 2-cyclopentyl-1-propan-2-yl-1-propylguanidine?
The InChIKey is FSFZCZVTDTXHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-4-9-15(10(2)3)12(13)14-11-7-5-6-8-11/h10-11H,4-9H2,1-3H3,(H2,13,14).
What are the key properties of 2-cyclopentyl-1-propan-2-yl-1-propylguanidine?
2-cyclopentyl-1-propan-2-yl-1-propylguanidine has a molecular weight of 211.35 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-propan-2-yl-1-propylguanidine is sourced from PubChem (CID 62362054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).