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

C13H29N5 — CID 102999153

IUPAC3-amino-2-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine
SMILESCCN(CC)CCCN(CC)/C(=N/C1CC1)NN
InChIInChI=1S/C13H29N5/c1-4-17(5-2)10-7-11-18(6-3)13(16-14)15-12-8-9-12/h12H,4-11,14H2,1-3H3,(H,15,16)
InChIKeyLUDPGMFPVAJJQY-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.02
Rot. Bonds8

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

3-amino-2-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine (PubChem CID 102999153) has the molecular formula C13H29N5 and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-amino-2-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine.

Molecular Properties

Compound Name3-amino-2-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine
PubChem CID102999153
Molecular FormulaC13H29N5
Molecular Weight255.41 g/mol
Exact Mass255.24
IUPAC Name3-amino-2-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine
SMILESCCN(CC)CCCN(CC)/C(=N/C1CC1)NN
InChIInChI=1S/C13H29N5/c1-4-17(5-2)10-7-11-18(6-3)13(16-14)15-12-8-9-12/h12H,4-11,14H2,1-3H3,(H,15,16)
InChIKeyLUDPGMFPVAJJQY-UHFFFAOYSA-N
XLogP1.02
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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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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-(diethylamino)propyl]-1-ethylguanidine?
The IUPAC name of 3-amino-2-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine (CID 102999153) is 3-amino-2-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine.
What is the SMILES notation for 3-amino-2-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine?
The canonical SMILES for 3-amino-2-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine is CCN(CC)CCCN(CC)/C(=N/C1CC1)NN.
What is the InChIKey of 3-amino-2-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine?
The InChIKey is LUDPGMFPVAJJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N5/c1-4-17(5-2)10-7-11-18(6-3)13(16-14)15-12-8-9-12/h12H,4-11,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-2-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine?
3-amino-2-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine has a molecular weight of 255.41 g/mol, XLogP of 1.02, 8 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-(diethylamino)propyl]-1-ethylguanidine is sourced from PubChem (CID 102999153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).