2-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine

C18H35N3O2 — CID 109484277

IUPAC2-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine
SMILESC=CCCCCCN(C)/C(=N/CC(O)COCC1CC1)NCC
InChIInChI=1S/C18H35N3O2/c1-4-6-7-8-9-12-21(3)18(19-5-2)20-13-17(22)15-23-14-16-10-11-16/h4,16-17,22H,1,5-15H2,2-3H3,(H,19,20)
InChIKeyWGTQYHIMTLGHHY-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.42
Rot. Bonds13

About 2-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine

2-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine (PubChem CID 109484277) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is 2-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine.

Molecular Properties

Compound Name2-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine
PubChem CID109484277
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Name2-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine
SMILESC=CCCCCCN(C)/C(=N/CC(O)COCC1CC1)NCC
InChIInChI=1S/C18H35N3O2/c1-4-6-7-8-9-12-21(3)18(19-5-2)20-13-17(22)15-23-14-16-10-11-16/h4,16-17,22H,1,5-15H2,2-3H3,(H,19,20)
InChIKeyWGTQYHIMTLGHHY-UHFFFAOYSA-N
XLogP2.42
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine 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 2-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine?
The IUPAC name of 2-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine (CID 109484277) is 2-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine.
What is the SMILES notation for 2-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine?
The canonical SMILES for 2-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine is C=CCCCCCN(C)/C(=N/CC(O)COCC1CC1)NCC.
What is the InChIKey of 2-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine?
The InChIKey is WGTQYHIMTLGHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-4-6-7-8-9-12-21(3)18(19-5-2)20-13-17(22)15-23-14-16-10-11-16/h4,16-17,22H,1,5-15H2,2-3H3,(H,19,20).
What are the key properties of 2-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine?
2-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine has a molecular weight of 325.50 g/mol, XLogP of 2.42, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine is sourced from PubChem (CID 109484277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).