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

C13H29N5 — CID 102999145

IUPAC3-amino-2-cyclopentyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine
SMILESCCN(CCCN(C)C)/C(=N/C1CCCC1)NN
InChIInChI=1S/C13H29N5/c1-4-18(11-7-10-17(2)3)13(16-14)15-12-8-5-6-9-12/h12H,4-11,14H2,1-3H3,(H,15,16)
InChIKeyLQLXGKZJWZEWMR-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.02
Rot. Bonds6

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

3-amino-2-cyclopentyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine (PubChem CID 102999145) has the molecular formula C13H29N5 and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-amino-2-cyclopentyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine.

Molecular Properties

Compound Name3-amino-2-cyclopentyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine
PubChem CID102999145
Molecular FormulaC13H29N5
Molecular Weight255.41 g/mol
Exact Mass255.24
IUPAC Name3-amino-2-cyclopentyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine
SMILESCCN(CCCN(C)C)/C(=N/C1CCCC1)NN
InChIInChI=1S/C13H29N5/c1-4-18(11-7-10-17(2)3)13(16-14)15-12-8-5-6-9-12/h12H,4-11,14H2,1-3H3,(H,15,16)
InChIKeyLQLXGKZJWZEWMR-UHFFFAOYSA-N
XLogP1.02
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.02
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-(dimethylamino)propyl]-1-ethylguanidine?
The IUPAC name of 3-amino-2-cyclopentyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine (CID 102999145) is 3-amino-2-cyclopentyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine.
What is the SMILES notation for 3-amino-2-cyclopentyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine?
The canonical SMILES for 3-amino-2-cyclopentyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine is CCN(CCCN(C)C)/C(=N/C1CCCC1)NN.
What is the InChIKey of 3-amino-2-cyclopentyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine?
The InChIKey is LQLXGKZJWZEWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N5/c1-4-18(11-7-10-17(2)3)13(16-14)15-12-8-5-6-9-12/h12H,4-11,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-2-cyclopentyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine?
3-amino-2-cyclopentyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine has a molecular weight of 255.41 g/mol, XLogP of 1.02, 6 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-(dimethylamino)propyl]-1-ethylguanidine is sourced from PubChem (CID 102999145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).