2-[(1-methylpyrrolidin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine

C14H29N5O — CID 111065342

IUPAC2-[(1-methylpyrrolidin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine
SMILESCN1CCC(C/N=C(\N)NCCCN2CCOCC2)C1
InChIInChI=1S/C14H29N5O/c1-18-6-3-13(12-18)11-17-14(15)16-4-2-5-19-7-9-20-10-8-19/h13H,2-12H2,1H3,(H3,15,16,17)
InChIKeyFLQZDHVSZLBCFL-UHFFFAOYSA-N
MW283.42 g/mol
LogP-0.44
Rot. Bonds6

About 2-[(1-methylpyrrolidin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine

2-[(1-methylpyrrolidin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine (PubChem CID 111065342) has the molecular formula C14H29N5O and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[(1-methylpyrrolidin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name2-[(1-methylpyrrolidin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine
PubChem CID111065342
Molecular FormulaC14H29N5O
Molecular Weight283.42 g/mol
Exact Mass283.24
IUPAC Name2-[(1-methylpyrrolidin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine
SMILESCN1CCC(C/N=C(\N)NCCCN2CCOCC2)C1
InChIInChI=1S/C14H29N5O/c1-18-6-3-13(12-18)11-17-14(15)16-4-2-5-19-7-9-20-10-8-19/h13H,2-12H2,1H3,(H3,15,16,17)
InChIKeyFLQZDHVSZLBCFL-UHFFFAOYSA-N
XLogP-0.44
TPSA66.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
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

2-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111094808
2-[(1-ethylpiperidin-2-yl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111803463
2-(cyclobutylmethyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034788
2-[3-(3-methylpiperidin-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056935
2-(cyclobutylmethyl)-1-[3-(4-methyl-1,4-diazepan-1-yl)propyl]guanidine;hydroiodide
CID 111091675
1-(4-methylpentyl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 111054905
1-hydroxy-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 62482086
1-(3-cyclopentylpropyl)-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111062761
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111077161
1-(4-morpholin-4-ylbutyl)-2-propylguanidine;hydroiodide
CID 111059844
1-octyl-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine
CID 111081761
2-[(1-methylpiperidin-3-yl)methyl]-1-octylguanidine;hydroiodide
CID 111802035

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrrolidin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 2-[(1-methylpyrrolidin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine (CID 111065342) is 2-[(1-methylpyrrolidin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 2-[(1-methylpyrrolidin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 2-[(1-methylpyrrolidin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine is CN1CCC(C/N=C(\N)NCCCN2CCOCC2)C1.
What is the InChIKey of 2-[(1-methylpyrrolidin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine?
The InChIKey is FLQZDHVSZLBCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5O/c1-18-6-3-13(12-18)11-17-14(15)16-4-2-5-19-7-9-20-10-8-19/h13H,2-12H2,1H3,(H3,15,16,17).
What are the key properties of 2-[(1-methylpyrrolidin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine?
2-[(1-methylpyrrolidin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine has a molecular weight of 283.42 g/mol, XLogP of -0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrrolidin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111065342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).