1-hept-6-enyl-1,2-dimethyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine

C18H35N3O2 — CID 109483357

IUPAC1-hept-6-enyl-1,2-dimethyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
SMILESC=CCCCCCN(C)/C(=N\C)NCCCOCC1CCOC1
InChIInChI=1S/C18H35N3O2/c1-4-5-6-7-8-12-21(3)18(19-2)20-11-9-13-22-15-17-10-14-23-16-17/h4,17H,1,5-16H2,2-3H3,(H,19,20)
InChIKeyBFXSCSZGVFCXAZ-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.68
Rot. Bonds12

About 1-hept-6-enyl-1,2-dimethyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine

1-hept-6-enyl-1,2-dimethyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine (PubChem CID 109483357) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is 1-hept-6-enyl-1,2-dimethyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine.

Molecular Properties

Compound Name1-hept-6-enyl-1,2-dimethyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
PubChem CID109483357
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Name1-hept-6-enyl-1,2-dimethyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
SMILESC=CCCCCCN(C)/C(=N\C)NCCCOCC1CCOC1
InChIInChI=1S/C18H35N3O2/c1-4-5-6-7-8-12-21(3)18(19-2)20-11-9-13-22-15-17-10-14-23-16-17/h4,17H,1,5-16H2,2-3H3,(H,19,20)
InChIKeyBFXSCSZGVFCXAZ-UHFFFAOYSA-N
XLogP2.68
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.68
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-hept-6-enyl-1,2-dimethyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine?
The IUPAC name of 1-hept-6-enyl-1,2-dimethyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine (CID 109483357) is 1-hept-6-enyl-1,2-dimethyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine.
What is the SMILES notation for 1-hept-6-enyl-1,2-dimethyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine?
The canonical SMILES for 1-hept-6-enyl-1,2-dimethyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine is C=CCCCCCN(C)/C(=N\C)NCCCOCC1CCOC1.
What is the InChIKey of 1-hept-6-enyl-1,2-dimethyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine?
The InChIKey is BFXSCSZGVFCXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-4-5-6-7-8-12-21(3)18(19-2)20-11-9-13-22-15-17-10-14-23-16-17/h4,17H,1,5-16H2,2-3H3,(H,19,20).
What are the key properties of 1-hept-6-enyl-1,2-dimethyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine?
1-hept-6-enyl-1,2-dimethyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine has a molecular weight of 325.50 g/mol, XLogP of 2.68, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-6-enyl-1,2-dimethyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine is sourced from PubChem (CID 109483357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).