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

C11H25N5 — CID 102999142

IUPAC3-amino-2-cyclopropyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine
SMILESCCN(CCCN(C)C)/C(=N/C1CC1)NN
InChIInChI=1S/C11H25N5/c1-4-16(9-5-8-15(2)3)11(14-12)13-10-6-7-10/h10H,4-9,12H2,1-3H3,(H,13,14)
InChIKeyLNRSQSADMMRDTF-UHFFFAOYSA-N
MW227.36 g/mol
LogP0.24
Rot. Bonds6

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

3-amino-2-cyclopropyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine (PubChem CID 102999142) has the molecular formula C11H25N5 and a molecular weight of 227.36 g/mol. Its IUPAC name is 3-amino-2-cyclopropyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine.

Molecular Properties

Compound Name3-amino-2-cyclopropyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine
PubChem CID102999142
Molecular FormulaC11H25N5
Molecular Weight227.36 g/mol
Exact Mass227.21
IUPAC Name3-amino-2-cyclopropyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine
SMILESCCN(CCCN(C)C)/C(=N/C1CC1)NN
InChIInChI=1S/C11H25N5/c1-4-16(9-5-8-15(2)3)11(14-12)13-10-6-7-10/h10H,4-9,12H2,1-3H3,(H,13,14)
InChIKeyLNRSQSADMMRDTF-UHFFFAOYSA-N
XLogP0.24
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.36
LogP ≤ 50.24
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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Related Compounds

3-Amino-1-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104882058
3-Amino-2-cyclopropyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884430
3-Amino-2-cyclopropyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884440
3-Amino-2-butyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884454
3-Amino-1-cyclopropyl-2-ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884456
3-Amino-1-cyclopropyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884457
3-Amino-1-cyclopropyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884460
3-Amino-1-cyclopropyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine
CID 104884461
3-Amino-2-propan-2-yl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884481
3-Amino-2-cyclopropyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884483
3-Amino-2-cyclopropyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine
CID 104887044
2-Cyclopropyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine
CID 102994207

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclopropyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine?
The IUPAC name of 3-amino-2-cyclopropyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine (CID 102999142) is 3-amino-2-cyclopropyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine.
What is the SMILES notation for 3-amino-2-cyclopropyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine?
The canonical SMILES for 3-amino-2-cyclopropyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine is CCN(CCCN(C)C)/C(=N/C1CC1)NN.
What is the InChIKey of 3-amino-2-cyclopropyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine?
The InChIKey is LNRSQSADMMRDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N5/c1-4-16(9-5-8-15(2)3)11(14-12)13-10-6-7-10/h10H,4-9,12H2,1-3H3,(H,13,14).
What are the key properties of 3-amino-2-cyclopropyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine?
3-amino-2-cyclopropyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine has a molecular weight of 227.36 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclopropyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine is sourced from PubChem (CID 102999142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).