3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine

C15H30N4 — CID 109497218

IUPAC3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N\C)NCC(C1CC1)N(C)C
InChIInChI=1S/C15H30N4/c1-6-7-8-11-19(5)15(16-2)17-12-14(18(3)4)13-9-10-13/h6,13-14H,1,7-12H2,2-5H3,(H,16,17)
InChIKeyWHTQIGANQYSPBK-UHFFFAOYSA-N
MW266.43 g/mol
LogP1.80
Rot. Bonds8

About 3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine

3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine (PubChem CID 109497218) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine.

Molecular Properties

Compound Name3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine
PubChem CID109497218
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N\C)NCC(C1CC1)N(C)C
InChIInChI=1S/C15H30N4/c1-6-7-8-11-19(5)15(16-2)17-12-14(18(3)4)13-9-10-13/h6,13-14H,1,7-12H2,2-5H3,(H,16,17)
InChIKeyWHTQIGANQYSPBK-UHFFFAOYSA-N
XLogP1.80
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine?
The IUPAC name of 3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine (CID 109497218) is 3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine.
What is the SMILES notation for 3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine?
The canonical SMILES for 3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine is C=CCCCN(C)/C(=N\C)NCC(C1CC1)N(C)C.
What is the InChIKey of 3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine?
The InChIKey is WHTQIGANQYSPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-6-7-8-11-19(5)15(16-2)17-12-14(18(3)4)13-9-10-13/h6,13-14H,1,7-12H2,2-5H3,(H,16,17).
What are the key properties of 3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine?
3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine has a molecular weight of 266.43 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine is sourced from PubChem (CID 109497218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).