2-methyl-1-pentyl-3-(3-pyrrolidin-1-ylpropyl)guanidine

C14H30N4 — CID 111129806

IUPAC2-methyl-1-pentyl-3-(3-pyrrolidin-1-ylpropyl)guanidine
SMILESCCCCCN/C(=N\C)NCCCN1CCCC1
InChIInChI=1S/C14H30N4/c1-3-4-5-9-16-14(15-2)17-10-8-13-18-11-6-7-12-18/h3-13H2,1-2H3,(H2,15,16,17)
InChIKeyQWCJFKYBBCQZSZ-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.83
Rot. Bonds8

About 2-methyl-1-pentyl-3-(3-pyrrolidin-1-ylpropyl)guanidine

2-methyl-1-pentyl-3-(3-pyrrolidin-1-ylpropyl)guanidine (PubChem CID 111129806) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-methyl-1-pentyl-3-(3-pyrrolidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-pentyl-3-(3-pyrrolidin-1-ylpropyl)guanidine
PubChem CID111129806
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name2-methyl-1-pentyl-3-(3-pyrrolidin-1-ylpropyl)guanidine
SMILESCCCCCN/C(=N\C)NCCCN1CCCC1
InChIInChI=1S/C14H30N4/c1-3-4-5-9-16-14(15-2)17-10-8-13-18-11-6-7-12-18/h3-13H2,1-2H3,(H2,15,16,17)
InChIKeyQWCJFKYBBCQZSZ-UHFFFAOYSA-N
XLogP1.83
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.83
H-Bond Donors ≤ 52
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'}

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Related Compounds

1-hexyl-2-methyl-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 111161553
2-methyl-1-[3-(4-methyl-1,4-diazepan-1-yl)propyl]-3-pentylguanidine
CID 111130294
2-methyl-1-propyl-3-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111225836
1-butyl-2-methyl-3-[3-(4-methyl-1,4-diazepan-1-yl)propyl]guanidine
CID 111152014
1-[4-(4-ethylpiperazin-1-yl)butyl]-3-hexyl-2-methylguanidine
CID 111160677
2-methyl-1-(5-methylhexyl)-3-(3-pyrrolidin-1-ylpropyl)guanidine
CID 111579931
1-[3-(azepan-1-yl)propyl]-3-(2-ethoxyethyl)-2-methylguanidine
CID 111324730
1-[4-[(N'-methyl-N-pentylcarbamimidoyl)amino]butyl]piperidine-4-carboxamide
CID 111129273
2-methyl-1-(2-methylsulfanylethyl)-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 111343695
1-(2-methoxyethyl)-2-methyl-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 110939988
1-[3-(azepan-1-yl)propyl]-2-methyl-3-(3-methylsulfanylpropyl)guanidine
CID 111784975
2-methyl-1-prop-2-enyl-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 110980497

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pentyl-3-(3-pyrrolidin-1-ylpropyl)guanidine?
The IUPAC name of 2-methyl-1-pentyl-3-(3-pyrrolidin-1-ylpropyl)guanidine (CID 111129806) is 2-methyl-1-pentyl-3-(3-pyrrolidin-1-ylpropyl)guanidine.
What is the SMILES notation for 2-methyl-1-pentyl-3-(3-pyrrolidin-1-ylpropyl)guanidine?
The canonical SMILES for 2-methyl-1-pentyl-3-(3-pyrrolidin-1-ylpropyl)guanidine is CCCCCN/C(=N\C)NCCCN1CCCC1.
What is the InChIKey of 2-methyl-1-pentyl-3-(3-pyrrolidin-1-ylpropyl)guanidine?
The InChIKey is QWCJFKYBBCQZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-3-4-5-9-16-14(15-2)17-10-8-13-18-11-6-7-12-18/h3-13H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-methyl-1-pentyl-3-(3-pyrrolidin-1-ylpropyl)guanidine?
2-methyl-1-pentyl-3-(3-pyrrolidin-1-ylpropyl)guanidine has a molecular weight of 254.42 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pentyl-3-(3-pyrrolidin-1-ylpropyl)guanidine is sourced from PubChem (CID 111129806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).