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

C15H33N5 — CID 102999158

IUPAC3-amino-2-cyclopentyl-1-[3-(diethylamino)propyl]-1-ethylguanidine
SMILESCCN(CC)CCCN(CC)/C(=N/C1CCCC1)NN
InChIInChI=1S/C15H33N5/c1-4-19(5-2)12-9-13-20(6-3)15(18-16)17-14-10-7-8-11-14/h14H,4-13,16H2,1-3H3,(H,17,18)
InChIKeyQATQGPIZZPRYBC-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.80
Rot. Bonds8

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

3-amino-2-cyclopentyl-1-[3-(diethylamino)propyl]-1-ethylguanidine (PubChem CID 102999158) has the molecular formula C15H33N5 and a molecular weight of 283.46 g/mol. Its IUPAC name is 3-amino-2-cyclopentyl-1-[3-(diethylamino)propyl]-1-ethylguanidine.

Molecular Properties

Compound Name3-amino-2-cyclopentyl-1-[3-(diethylamino)propyl]-1-ethylguanidine
PubChem CID102999158
Molecular FormulaC15H33N5
Molecular Weight283.46 g/mol
Exact Mass283.27
IUPAC Name3-amino-2-cyclopentyl-1-[3-(diethylamino)propyl]-1-ethylguanidine
SMILESCCN(CC)CCCN(CC)/C(=N/C1CCCC1)NN
InChIInChI=1S/C15H33N5/c1-4-19(5-2)12-9-13-20(6-3)15(18-16)17-14-10-7-8-11-14/h14H,4-13,16H2,1-3H3,(H,17,18)
InChIKeyQATQGPIZZPRYBC-UHFFFAOYSA-N
XLogP1.80
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclopentyl-1-[3-(diethylamino)propyl]-1-ethylguanidine?
The IUPAC name of 3-amino-2-cyclopentyl-1-[3-(diethylamino)propyl]-1-ethylguanidine (CID 102999158) is 3-amino-2-cyclopentyl-1-[3-(diethylamino)propyl]-1-ethylguanidine.
What is the SMILES notation for 3-amino-2-cyclopentyl-1-[3-(diethylamino)propyl]-1-ethylguanidine?
The canonical SMILES for 3-amino-2-cyclopentyl-1-[3-(diethylamino)propyl]-1-ethylguanidine is CCN(CC)CCCN(CC)/C(=N/C1CCCC1)NN.
What is the InChIKey of 3-amino-2-cyclopentyl-1-[3-(diethylamino)propyl]-1-ethylguanidine?
The InChIKey is QATQGPIZZPRYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N5/c1-4-19(5-2)12-9-13-20(6-3)15(18-16)17-14-10-7-8-11-14/h14H,4-13,16H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-2-cyclopentyl-1-[3-(diethylamino)propyl]-1-ethylguanidine?
3-amino-2-cyclopentyl-1-[3-(diethylamino)propyl]-1-ethylguanidine has a molecular weight of 283.46 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclopentyl-1-[3-(diethylamino)propyl]-1-ethylguanidine is sourced from PubChem (CID 102999158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).