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

C15H30N4 — CID 109497702

IUPAC1,2-dimethyl-1-pent-4-enyl-3-(2-piperidin-1-ylethyl)guanidine
SMILESC=CCCCN(C)/C(=N\C)NCCN1CCCCC1
InChIInChI=1S/C15H30N4/c1-4-5-7-11-18(3)15(16-2)17-10-14-19-12-8-6-9-13-19/h4H,1,5-14H2,2-3H3,(H,16,17)
InChIKeyKPSBADPULNGXBR-UHFFFAOYSA-N
MW266.43 g/mol
LogP1.95
Rot. Bonds7

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

1,2-dimethyl-1-pent-4-enyl-3-(2-piperidin-1-ylethyl)guanidine (PubChem CID 109497702) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1,2-dimethyl-1-pent-4-enyl-3-(2-piperidin-1-ylethyl)guanidine.

Molecular Properties

Compound Name1,2-dimethyl-1-pent-4-enyl-3-(2-piperidin-1-ylethyl)guanidine
PubChem CID109497702
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name1,2-dimethyl-1-pent-4-enyl-3-(2-piperidin-1-ylethyl)guanidine
SMILESC=CCCCN(C)/C(=N\C)NCCN1CCCCC1
InChIInChI=1S/C15H30N4/c1-4-5-7-11-18(3)15(16-2)17-10-14-19-12-8-6-9-13-19/h4H,1,5-14H2,2-3H3,(H,16,17)
InChIKeyKPSBADPULNGXBR-UHFFFAOYSA-N
XLogP1.95
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 51.95
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

1-Hept-6-enyl-1,2-dimethyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide
CID 109484563
1-Hept-6-enyl-1,2-dimethyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
CID 109484564
4-ethyl-6-[3-(methylamino)piperidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 152324885
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
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
1-Hept-6-enyl-1,2-dimethyl-3-propylguanidine
CID 109482959
2-[2-(Tert-butylamino)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine
CID 109483063
3-[2-(4-Ethylpiperazin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109483146

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-1-pent-4-enyl-3-(2-piperidin-1-ylethyl)guanidine?
The IUPAC name of 1,2-dimethyl-1-pent-4-enyl-3-(2-piperidin-1-ylethyl)guanidine (CID 109497702) is 1,2-dimethyl-1-pent-4-enyl-3-(2-piperidin-1-ylethyl)guanidine.
What is the SMILES notation for 1,2-dimethyl-1-pent-4-enyl-3-(2-piperidin-1-ylethyl)guanidine?
The canonical SMILES for 1,2-dimethyl-1-pent-4-enyl-3-(2-piperidin-1-ylethyl)guanidine is C=CCCCN(C)/C(=N\C)NCCN1CCCCC1.
What is the InChIKey of 1,2-dimethyl-1-pent-4-enyl-3-(2-piperidin-1-ylethyl)guanidine?
The InChIKey is KPSBADPULNGXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-4-5-7-11-18(3)15(16-2)17-10-14-19-12-8-6-9-13-19/h4H,1,5-14H2,2-3H3,(H,16,17).
What are the key properties of 1,2-dimethyl-1-pent-4-enyl-3-(2-piperidin-1-ylethyl)guanidine?
1,2-dimethyl-1-pent-4-enyl-3-(2-piperidin-1-ylethyl)guanidine has a molecular weight of 266.43 g/mol, XLogP of 1.95, 7 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-(2-piperidin-1-ylethyl)guanidine is sourced from PubChem (CID 109497702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).