1-ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine

C19H35N5O — CID 111712384

IUPAC1-ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine
SMILESCCCC(CCO)C/N=C(\NCC)NCCCCNc1ccccn1
InChIInChI=1S/C19H35N5O/c1-3-9-17(11-15-25)16-24-19(20-4-2)23-14-8-7-13-22-18-10-5-6-12-21-18/h5-6,10,12,17,25H,3-4,7-9,11,13-16H2,1-2H3,(H,21,22)(H2,20,23,24)
InChIKeyPKJMMRHAFZRXMH-UHFFFAOYSA-N
MW349.52 g/mol
LogP2.63
Rot. Bonds13

About 1-ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine

1-ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine (PubChem CID 111712384) has the molecular formula C19H35N5O and a molecular weight of 349.52 g/mol. Its IUPAC name is 1-ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine
PubChem CID111712384
Molecular FormulaC19H35N5O
Molecular Weight349.52 g/mol
Exact Mass349.28
IUPAC Name1-ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine
SMILESCCCC(CCO)C/N=C(\NCC)NCCCCNc1ccccn1
InChIInChI=1S/C19H35N5O/c1-3-9-17(11-15-25)16-24-19(20-4-2)23-14-8-7-13-22-18-10-5-6-12-21-18/h5-6,10,12,17,25H,3-4,7-9,11,13-16H2,1-2H3,(H,21,22)(H2,20,23,24)
InChIKeyPKJMMRHAFZRXMH-UHFFFAOYSA-N
XLogP2.63
TPSA81.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

1-ethyl-3-[4-(pyridin-2-ylamino)butyl]-2-(pyridin-2-ylmethyl)guanidine
CID 110970205
1-ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111711882
1-ethyl-3-(3-methylbutyl)-2-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide
CID 110978732
1-ethyl-3-[4-(pyridin-2-ylamino)butyl]-2-(2-thiophen-3-ylpropyl)guanidine
CID 111703538
1-ethyl-2-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide
CID 109494320
1-ethyl-3-[4-(pyridin-2-ylamino)butyl]-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine
CID 111012481
1-ethyl-2-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine
CID 111183852
1-ethyl-2-[(5-ethylthiophen-2-yl)methyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide
CID 111957548
1-ethyl-2-[(3-methylphenyl)methyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine
CID 111899717
1-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine
CID 111523523
1-ethyl-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide
CID 111552577
1-ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111712257

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine?
The IUPAC name of 1-ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine (CID 111712384) is 1-ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine?
The canonical SMILES for 1-ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine is CCCC(CCO)C/N=C(\NCC)NCCCCNc1ccccn1.
What is the InChIKey of 1-ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine?
The InChIKey is PKJMMRHAFZRXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O/c1-3-9-17(11-15-25)16-24-19(20-4-2)23-14-8-7-13-22-18-10-5-6-12-21-18/h5-6,10,12,17,25H,3-4,7-9,11,13-16H2,1-2H3,(H,21,22)(H2,20,23,24).
What are the key properties of 1-ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine?
1-ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine has a molecular weight of 349.52 g/mol, XLogP of 2.63, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine is sourced from PubChem (CID 111712384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).