3-ethyl-1-methyl-1-pent-4-enyl-2-(5-piperidin-1-ylpentyl)guanidine

C19H38N4 — CID 109499536

IUPAC3-ethyl-1-methyl-1-pent-4-enyl-2-(5-piperidin-1-ylpentyl)guanidine
SMILESC=CCCCN(C)/C(=N/CCCCCN1CCCCC1)NCC
InChIInChI=1S/C19H38N4/c1-4-6-10-15-22(3)19(20-5-2)21-14-9-7-11-16-23-17-12-8-13-18-23/h4H,1,5-18H2,2-3H3,(H,20,21)
InChIKeyRLTXJHORBMPDHP-UHFFFAOYSA-N
MW322.54 g/mol
LogP3.51
Rot. Bonds11

About 3-ethyl-1-methyl-1-pent-4-enyl-2-(5-piperidin-1-ylpentyl)guanidine

3-ethyl-1-methyl-1-pent-4-enyl-2-(5-piperidin-1-ylpentyl)guanidine (PubChem CID 109499536) has the molecular formula C19H38N4 and a molecular weight of 322.54 g/mol. Its IUPAC name is 3-ethyl-1-methyl-1-pent-4-enyl-2-(5-piperidin-1-ylpentyl)guanidine.

Molecular Properties

Compound Name3-ethyl-1-methyl-1-pent-4-enyl-2-(5-piperidin-1-ylpentyl)guanidine
PubChem CID109499536
Molecular FormulaC19H38N4
Molecular Weight322.54 g/mol
Exact Mass322.31
IUPAC Name3-ethyl-1-methyl-1-pent-4-enyl-2-(5-piperidin-1-ylpentyl)guanidine
SMILESC=CCCCN(C)/C(=N/CCCCCN1CCCCC1)NCC
InChIInChI=1S/C19H38N4/c1-4-6-10-15-22(3)19(20-5-2)21-14-9-7-11-16-23-17-12-8-13-18-23/h4H,1,5-18H2,2-3H3,(H,20,21)
InChIKeyRLTXJHORBMPDHP-UHFFFAOYSA-N
XLogP3.51
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 53.51
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-[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 3-ethyl-1-methyl-1-pent-4-enyl-2-(5-piperidin-1-ylpentyl)guanidine?
The IUPAC name of 3-ethyl-1-methyl-1-pent-4-enyl-2-(5-piperidin-1-ylpentyl)guanidine (CID 109499536) is 3-ethyl-1-methyl-1-pent-4-enyl-2-(5-piperidin-1-ylpentyl)guanidine.
What is the SMILES notation for 3-ethyl-1-methyl-1-pent-4-enyl-2-(5-piperidin-1-ylpentyl)guanidine?
The canonical SMILES for 3-ethyl-1-methyl-1-pent-4-enyl-2-(5-piperidin-1-ylpentyl)guanidine is C=CCCCN(C)/C(=N/CCCCCN1CCCCC1)NCC.
What is the InChIKey of 3-ethyl-1-methyl-1-pent-4-enyl-2-(5-piperidin-1-ylpentyl)guanidine?
The InChIKey is RLTXJHORBMPDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4/c1-4-6-10-15-22(3)19(20-5-2)21-14-9-7-11-16-23-17-12-8-13-18-23/h4H,1,5-18H2,2-3H3,(H,20,21).
What are the key properties of 3-ethyl-1-methyl-1-pent-4-enyl-2-(5-piperidin-1-ylpentyl)guanidine?
3-ethyl-1-methyl-1-pent-4-enyl-2-(5-piperidin-1-ylpentyl)guanidine has a molecular weight of 322.54 g/mol, XLogP of 3.51, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-1-pent-4-enyl-2-(5-piperidin-1-ylpentyl)guanidine is sourced from PubChem (CID 109499536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).