3-ethyl-1-hept-6-enyl-1-methyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine

C19H40N4 — CID 109483755

IUPAC3-ethyl-1-hept-6-enyl-1-methyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
SMILESC=CCCCCCN(C)/C(=N\CCCCN(C)C(C)C)NCC
InChIInChI=1S/C19H40N4/c1-7-9-10-11-13-17-23(6)19(20-8-2)21-15-12-14-16-22(5)18(3)4/h7,18H,1,8-17H2,2-6H3,(H,20,21)
InChIKeyIFMFCEYTUOTUCS-UHFFFAOYSA-N
MW324.56 g/mol
LogP3.75
Rot. Bonds13

About 3-ethyl-1-hept-6-enyl-1-methyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine

3-ethyl-1-hept-6-enyl-1-methyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine (PubChem CID 109483755) has the molecular formula C19H40N4 and a molecular weight of 324.56 g/mol. Its IUPAC name is 3-ethyl-1-hept-6-enyl-1-methyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine.

Molecular Properties

Compound Name3-ethyl-1-hept-6-enyl-1-methyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
PubChem CID109483755
Molecular FormulaC19H40N4
Molecular Weight324.56 g/mol
Exact Mass324.33
IUPAC Name3-ethyl-1-hept-6-enyl-1-methyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
SMILESC=CCCCCCN(C)/C(=N\CCCCN(C)C(C)C)NCC
InChIInChI=1S/C19H40N4/c1-7-9-10-11-13-17-23(6)19(20-8-2)21-15-12-14-16-22(5)18(3)4/h7,18H,1,8-17H2,2-6H3,(H,20,21)
InChIKeyIFMFCEYTUOTUCS-UHFFFAOYSA-N
XLogP3.75
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.56
LogP ≤ 53.75
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'}

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Related Compounds

3-Ethyl-2-(3-fluoropropyl)-1-hept-6-enyl-1-methylguanidine
CID 109484011
1-Hept-6-enyl-1,2-dimethyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine;hydroiodide
CID 109484300
1-Hept-6-enyl-1,2-dimethyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine
CID 109484301
3-(3-Fluoropropyl)-1-hept-6-enyl-1,2-dimethylguanidine
CID 109484401
1-N,1-N'-bis(hepta-1,6-dien-4-yl)hexane-1,1-diamine
CID 88217871
1-Methyl-1-pent-4-enyl-2,3-di(propan-2-yl)guanidine
CID 90360688
2-[Amino-[ethyl(pentan-2-yl)amino]methyl]-1-but-3-en-2-ylguanidine
CID 173547741
6-imino-5-pentyl-4,4-bis(prop-2-enyl)-1H-1,3,5-triazin-2-amine
CID 176521469
3-[2-(4-Ethylpiperazin-1-yl)propyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109482906
3-[2-(4-Ethylpiperazin-1-yl)propyl]-1-hept-6-enyl-1,2-dimethylguanidine
CID 109482907
3-Ethyl-1-hept-6-enyl-1-methyl-2-[2-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 109482944
3-Ethyl-1-hept-6-enyl-1-methyl-2-[2-(4-methylpiperazin-1-yl)propyl]guanidine
CID 109482945

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-hept-6-enyl-1-methyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine?
The IUPAC name of 3-ethyl-1-hept-6-enyl-1-methyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine (CID 109483755) is 3-ethyl-1-hept-6-enyl-1-methyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine.
What is the SMILES notation for 3-ethyl-1-hept-6-enyl-1-methyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine?
The canonical SMILES for 3-ethyl-1-hept-6-enyl-1-methyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine is C=CCCCCCN(C)/C(=N\CCCCN(C)C(C)C)NCC.
What is the InChIKey of 3-ethyl-1-hept-6-enyl-1-methyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine?
The InChIKey is IFMFCEYTUOTUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N4/c1-7-9-10-11-13-17-23(6)19(20-8-2)21-15-12-14-16-22(5)18(3)4/h7,18H,1,8-17H2,2-6H3,(H,20,21).
What are the key properties of 3-ethyl-1-hept-6-enyl-1-methyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine?
3-ethyl-1-hept-6-enyl-1-methyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine has a molecular weight of 324.56 g/mol, XLogP of 3.75, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-hept-6-enyl-1-methyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine is sourced from PubChem (CID 109483755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).