1,2-dimethyl-1-pent-4-enyl-3-(5-piperidin-1-ylpentyl)guanidine

C18H36N4 — CID 109499534

IUPAC1,2-dimethyl-1-pent-4-enyl-3-(5-piperidin-1-ylpentyl)guanidine
SMILESC=CCCCN(C)/C(=N\C)NCCCCCN1CCCCC1
InChIInChI=1S/C18H36N4/c1-4-5-9-14-21(3)18(19-2)20-13-8-6-10-15-22-16-11-7-12-17-22/h4H,1,5-17H2,2-3H3,(H,19,20)
InChIKeyFWQUEVJSBHJXBR-UHFFFAOYSA-N
MW308.51 g/mol
LogP3.12
Rot. Bonds10

About 1,2-dimethyl-1-pent-4-enyl-3-(5-piperidin-1-ylpentyl)guanidine

1,2-dimethyl-1-pent-4-enyl-3-(5-piperidin-1-ylpentyl)guanidine (PubChem CID 109499534) has the molecular formula C18H36N4 and a molecular weight of 308.51 g/mol. Its IUPAC name is 1,2-dimethyl-1-pent-4-enyl-3-(5-piperidin-1-ylpentyl)guanidine.

Molecular Properties

Compound Name1,2-dimethyl-1-pent-4-enyl-3-(5-piperidin-1-ylpentyl)guanidine
PubChem CID109499534
Molecular FormulaC18H36N4
Molecular Weight308.51 g/mol
Exact Mass308.29
IUPAC Name1,2-dimethyl-1-pent-4-enyl-3-(5-piperidin-1-ylpentyl)guanidine
SMILESC=CCCCN(C)/C(=N\C)NCCCCCN1CCCCC1
InChIInChI=1S/C18H36N4/c1-4-5-9-14-21(3)18(19-2)20-13-8-6-10-15-22-16-11-7-12-17-22/h4H,1,5-17H2,2-3H3,(H,19,20)
InChIKeyFWQUEVJSBHJXBR-UHFFFAOYSA-N
XLogP3.12
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 53.12
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 1,2-dimethyl-1-pent-4-enyl-3-(5-piperidin-1-ylpentyl)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
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
2,6-bis[bis(hex-5-enyl)amino]-1H-1,3,5-triazine-4-thione
CID 140292052
cyclopropane;ethanamine;N'-methyl-N-[(Z)-prop-1-enyl]piperidine-1-carboximidamide
CID 144136613
(1Z)-1-but-3-en-2-ylidene-3-ethyl-2-methylguanidine;ethane;1-methylpiperidine
CID 169122753
2-N,2-N,4-N,6-N,6-N,4-hexakis(prop-2-enyl)-1H-1,3,5-triazine-2,4,6-triamine
CID 176108884
6-imino-5-pentyl-4,4-bis(prop-2-enyl)-1H-1,3,5-triazin-2-amine
CID 176521469
N'-hex-5-enylpiperidine-1-carboximidamide
CID 100611002
2-N,2-N-dibutyl-4-N,6-N-bis(hex-5-enyl)-1,3,5-triazine-2,4,6-triamine
CID 101229508

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-1-pent-4-enyl-3-(5-piperidin-1-ylpentyl)guanidine?
The IUPAC name of 1,2-dimethyl-1-pent-4-enyl-3-(5-piperidin-1-ylpentyl)guanidine (CID 109499534) is 1,2-dimethyl-1-pent-4-enyl-3-(5-piperidin-1-ylpentyl)guanidine.
What is the SMILES notation for 1,2-dimethyl-1-pent-4-enyl-3-(5-piperidin-1-ylpentyl)guanidine?
The canonical SMILES for 1,2-dimethyl-1-pent-4-enyl-3-(5-piperidin-1-ylpentyl)guanidine is C=CCCCN(C)/C(=N\C)NCCCCCN1CCCCC1.
What is the InChIKey of 1,2-dimethyl-1-pent-4-enyl-3-(5-piperidin-1-ylpentyl)guanidine?
The InChIKey is FWQUEVJSBHJXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4/c1-4-5-9-14-21(3)18(19-2)20-13-8-6-10-15-22-16-11-7-12-17-22/h4H,1,5-17H2,2-3H3,(H,19,20).
What are the key properties of 1,2-dimethyl-1-pent-4-enyl-3-(5-piperidin-1-ylpentyl)guanidine?
1,2-dimethyl-1-pent-4-enyl-3-(5-piperidin-1-ylpentyl)guanidine has a molecular weight of 308.51 g/mol, XLogP of 3.12, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-pent-4-enyl-3-(5-piperidin-1-ylpentyl)guanidine is sourced from PubChem (CID 109499534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).