1-amino-3-cyclopropyl-2-[3-(diethylamino)propyl]guanidine

C11H25N5 — CID 104883068

IUPAC1-amino-3-cyclopropyl-2-[3-(diethylamino)propyl]guanidine
SMILESCCN(CC)CCC/N=C(\NN)NC1CC1
InChIInChI=1S/C11H25N5/c1-3-16(4-2)9-5-8-13-11(15-12)14-10-6-7-10/h10H,3-9,12H2,1-2H3,(H2,13,14,15)
InChIKeyIURYFWCHWUWUJX-UHFFFAOYSA-N
MW227.36 g/mol
LogP0.29
Rot. Bonds7

About 1-amino-3-cyclopropyl-2-[3-(diethylamino)propyl]guanidine

1-amino-3-cyclopropyl-2-[3-(diethylamino)propyl]guanidine (PubChem CID 104883068) has the molecular formula C11H25N5 and a molecular weight of 227.36 g/mol. Its IUPAC name is 1-amino-3-cyclopropyl-2-[3-(diethylamino)propyl]guanidine.

Molecular Properties

Compound Name1-amino-3-cyclopropyl-2-[3-(diethylamino)propyl]guanidine
PubChem CID104883068
Molecular FormulaC11H25N5
Molecular Weight227.36 g/mol
Exact Mass227.21
IUPAC Name1-amino-3-cyclopropyl-2-[3-(diethylamino)propyl]guanidine
SMILESCCN(CC)CCC/N=C(\NN)NC1CC1
InChIInChI=1S/C11H25N5/c1-3-16(4-2)9-5-8-13-11(15-12)14-10-6-7-10/h10H,3-9,12H2,1-2H3,(H2,13,14,15)
InChIKeyIURYFWCHWUWUJX-UHFFFAOYSA-N
XLogP0.29
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.36
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

3-[[(cyclopropylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide
CID 104888373
2-[3-(diethylamino)propyl]-1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111318884
1-amino-2-(3-cyclopentylpropyl)-3-cyclopropylguanidine
CID 106013169
1-amino-3-cyclopropyl-2-(2-cyclopropylethyl)guanidine
CID 104887133
2-[4-(diethylamino)butyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111017571
N'-[3-(diethylamino)propyl]cyclopropanecarboximidamide
CID 63178602
3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide
CID 104888371
1-amino-3-[3-(diethylamino)propyl]-2-(3-ethoxypropyl)guanidine
CID 104883061
1-amino-3-cyclohexyl-2-(3-methylsulfanylpropyl)guanidine
CID 104886471
1-amino-2-(2-cyclobutylethyl)-3-cyclopropylguanidine
CID 104888658
1-amino-3-cyclopropyl-2-(3,3,3-trifluoropropyl)guanidine
CID 104885808
1-amino-3-cyclopropyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine
CID 104884313

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclopropyl-2-[3-(diethylamino)propyl]guanidine?
The IUPAC name of 1-amino-3-cyclopropyl-2-[3-(diethylamino)propyl]guanidine (CID 104883068) is 1-amino-3-cyclopropyl-2-[3-(diethylamino)propyl]guanidine.
What is the SMILES notation for 1-amino-3-cyclopropyl-2-[3-(diethylamino)propyl]guanidine?
The canonical SMILES for 1-amino-3-cyclopropyl-2-[3-(diethylamino)propyl]guanidine is CCN(CC)CCC/N=C(\NN)NC1CC1.
What is the InChIKey of 1-amino-3-cyclopropyl-2-[3-(diethylamino)propyl]guanidine?
The InChIKey is IURYFWCHWUWUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N5/c1-3-16(4-2)9-5-8-13-11(15-12)14-10-6-7-10/h10H,3-9,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-amino-3-cyclopropyl-2-[3-(diethylamino)propyl]guanidine?
1-amino-3-cyclopropyl-2-[3-(diethylamino)propyl]guanidine has a molecular weight of 227.36 g/mol, XLogP of 0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclopropyl-2-[3-(diethylamino)propyl]guanidine is sourced from PubChem (CID 104883068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).