2-cyclopentyl-1-[3-(diethylamino)propyl]-1-ethylguanidine

C15H32N4 — CID 102994217

IUPAC2-cyclopentyl-1-[3-(diethylamino)propyl]-1-ethylguanidine
SMILESCCN(CC)CCCN(CC)/C(N)=N/C1CCCC1
InChIInChI=1S/C15H32N4/c1-4-18(5-2)12-9-13-19(6-3)15(16)17-14-10-7-8-11-14/h14H,4-13H2,1-3H3,(H2,16,17)
InChIKeyPTBVXXRLHMBKHT-UHFFFAOYSA-N
MW268.45 g/mol
LogP2.30
Rot. Bonds8

About 2-cyclopentyl-1-[3-(diethylamino)propyl]-1-ethylguanidine

2-cyclopentyl-1-[3-(diethylamino)propyl]-1-ethylguanidine (PubChem CID 102994217) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 2-cyclopentyl-1-[3-(diethylamino)propyl]-1-ethylguanidine.

Molecular Properties

Compound Name2-cyclopentyl-1-[3-(diethylamino)propyl]-1-ethylguanidine
PubChem CID102994217
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name2-cyclopentyl-1-[3-(diethylamino)propyl]-1-ethylguanidine
SMILESCCN(CC)CCCN(CC)/C(N)=N/C1CCCC1
InChIInChI=1S/C15H32N4/c1-4-18(5-2)12-9-13-19(6-3)15(16)17-14-10-7-8-11-14/h14H,4-13H2,1-3H3,(H2,16,17)
InChIKeyPTBVXXRLHMBKHT-UHFFFAOYSA-N
XLogP2.30
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[3-(diethylamino)propyl]-1-ethylguanidine?
The IUPAC name of 2-cyclopentyl-1-[3-(diethylamino)propyl]-1-ethylguanidine (CID 102994217) is 2-cyclopentyl-1-[3-(diethylamino)propyl]-1-ethylguanidine.
What is the SMILES notation for 2-cyclopentyl-1-[3-(diethylamino)propyl]-1-ethylguanidine?
The canonical SMILES for 2-cyclopentyl-1-[3-(diethylamino)propyl]-1-ethylguanidine is CCN(CC)CCCN(CC)/C(N)=N/C1CCCC1.
What is the InChIKey of 2-cyclopentyl-1-[3-(diethylamino)propyl]-1-ethylguanidine?
The InChIKey is PTBVXXRLHMBKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-4-18(5-2)12-9-13-19(6-3)15(16)17-14-10-7-8-11-14/h14H,4-13H2,1-3H3,(H2,16,17).
What are the key properties of 2-cyclopentyl-1-[3-(diethylamino)propyl]-1-ethylguanidine?
2-cyclopentyl-1-[3-(diethylamino)propyl]-1-ethylguanidine has a molecular weight of 268.45 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[3-(diethylamino)propyl]-1-ethylguanidine is sourced from PubChem (CID 102994217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).