1-hept-6-enyl-1,2-dimethyl-3-[[1-(2-methylpropyl)piperidin-3-yl]methyl]guanidine

C20H40N4 — CID 109483117

IUPAC1-hept-6-enyl-1,2-dimethyl-3-[[1-(2-methylpropyl)piperidin-3-yl]methyl]guanidine
SMILESC=CCCCCCN(C)/C(=N\C)NCC1CCCN(CC(C)C)C1
InChIInChI=1S/C20H40N4/c1-6-7-8-9-10-13-23(5)20(21-4)22-15-19-12-11-14-24(17-19)16-18(2)3/h6,18-19H,1,7-17H2,2-5H3,(H,21,22)
InChIKeyZKGQXUOOGUZTRT-UHFFFAOYSA-N
MW336.57 g/mol
LogP3.61
Rot. Bonds10

About 1-hept-6-enyl-1,2-dimethyl-3-[[1-(2-methylpropyl)piperidin-3-yl]methyl]guanidine

1-hept-6-enyl-1,2-dimethyl-3-[[1-(2-methylpropyl)piperidin-3-yl]methyl]guanidine (PubChem CID 109483117) has the molecular formula C20H40N4 and a molecular weight of 336.57 g/mol. Its IUPAC name is 1-hept-6-enyl-1,2-dimethyl-3-[[1-(2-methylpropyl)piperidin-3-yl]methyl]guanidine.

Molecular Properties

Compound Name1-hept-6-enyl-1,2-dimethyl-3-[[1-(2-methylpropyl)piperidin-3-yl]methyl]guanidine
PubChem CID109483117
Molecular FormulaC20H40N4
Molecular Weight336.57 g/mol
Exact Mass336.33
IUPAC Name1-hept-6-enyl-1,2-dimethyl-3-[[1-(2-methylpropyl)piperidin-3-yl]methyl]guanidine
SMILESC=CCCCCCN(C)/C(=N\C)NCC1CCCN(CC(C)C)C1
InChIInChI=1S/C20H40N4/c1-6-7-8-9-10-13-23(5)20(21-4)22-15-19-12-11-14-24(17-19)16-18(2)3/h6,18-19H,1,7-17H2,2-5H3,(H,21,22)
InChIKeyZKGQXUOOGUZTRT-UHFFFAOYSA-N
XLogP3.61
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.57
LogP ≤ 53.61
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 1-hept-6-enyl-1,2-dimethyl-3-[[1-(2-methylpropyl)piperidin-3-yl]methyl]guanidine with MolForge

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

Launch Full Analysis

Related Compounds

1-Hept-6-enyl-1,2-dimethyl-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 109483380
1-Hept-6-enyl-1,2-dimethyl-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
CID 109483381
1,2-Dimethyl-1-pent-4-enyl-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 109496879
1,2-Dimethyl-1-pent-4-enyl-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
CID 109496880
3-Ethyl-1-methyl-1-pent-4-enyl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 109498319
3-Ethyl-1-methyl-1-pent-4-enyl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
CID 109498320
2-N,2-N,4-N,4-N-tetrabutyl-6-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-6-N-methyl-1,2-dihydro-1,3,5-triazine-2,4,6-triamine
CID 176531616
(3R,5S)-N',3,5-trimethyl-N-prop-2-enylpiperidine-1-carboximidamide
CID 95905149
(3S,5S)-N',3,5-trimethyl-N-prop-2-enylpiperidine-1-carboximidamide
CID 95905150
(3R,5R)-N',3,5-trimethyl-N-prop-2-enylpiperidine-1-carboximidamide
CID 95905151
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
CID 109482945

Frequently Asked Questions

What is the IUPAC name of 1-hept-6-enyl-1,2-dimethyl-3-[[1-(2-methylpropyl)piperidin-3-yl]methyl]guanidine?
The IUPAC name of 1-hept-6-enyl-1,2-dimethyl-3-[[1-(2-methylpropyl)piperidin-3-yl]methyl]guanidine (CID 109483117) is 1-hept-6-enyl-1,2-dimethyl-3-[[1-(2-methylpropyl)piperidin-3-yl]methyl]guanidine.
What is the SMILES notation for 1-hept-6-enyl-1,2-dimethyl-3-[[1-(2-methylpropyl)piperidin-3-yl]methyl]guanidine?
The canonical SMILES for 1-hept-6-enyl-1,2-dimethyl-3-[[1-(2-methylpropyl)piperidin-3-yl]methyl]guanidine is C=CCCCCCN(C)/C(=N\C)NCC1CCCN(CC(C)C)C1.
What is the InChIKey of 1-hept-6-enyl-1,2-dimethyl-3-[[1-(2-methylpropyl)piperidin-3-yl]methyl]guanidine?
The InChIKey is ZKGQXUOOGUZTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4/c1-6-7-8-9-10-13-23(5)20(21-4)22-15-19-12-11-14-24(17-19)16-18(2)3/h6,18-19H,1,7-17H2,2-5H3,(H,21,22).
What are the key properties of 1-hept-6-enyl-1,2-dimethyl-3-[[1-(2-methylpropyl)piperidin-3-yl]methyl]guanidine?
1-hept-6-enyl-1,2-dimethyl-3-[[1-(2-methylpropyl)piperidin-3-yl]methyl]guanidine has a molecular weight of 336.57 g/mol, XLogP of 3.61, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-6-enyl-1,2-dimethyl-3-[[1-(2-methylpropyl)piperidin-3-yl]methyl]guanidine is sourced from PubChem (CID 109483117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).