1-cyclopropyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine

C15H30N4 — CID 110934699

IUPAC1-cyclopropyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine
SMILESC/N=C(\NCC(CC(C)C)N1CCCC1)NC1CC1
InChIInChI=1S/C15H30N4/c1-12(2)10-14(19-8-4-5-9-19)11-17-15(16-3)18-13-6-7-13/h12-14H,4-11H2,1-3H3,(H2,16,17,18)
InChIKeyGOJUVNQEYMDETE-UHFFFAOYSA-N
MW266.43 g/mol
LogP1.82
Rot. Bonds6

About 1-cyclopropyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine

1-cyclopropyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine (PubChem CID 110934699) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-cyclopropyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine
PubChem CID110934699
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name1-cyclopropyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine
SMILESC/N=C(\NCC(CC(C)C)N1CCCC1)NC1CC1
InChIInChI=1S/C15H30N4/c1-12(2)10-14(19-8-4-5-9-19)11-17-15(16-3)18-13-6-7-13/h12-14H,4-11H2,1-3H3,(H2,16,17,18)
InChIKeyGOJUVNQEYMDETE-UHFFFAOYSA-N
XLogP1.82
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 110959205
2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-propan-2-ylguanidine;hydroiodide
CID 111125178
1-butan-2-yl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine
CID 110946050
1-butyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine
CID 111150541
1-cyclohexyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)urea
CID 110403501
1-cyclopropyl-3-ethyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide
CID 110989396
2-methyl-1-(3-methyl-2-pyrrolidin-1-ylbutyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111319009
1-(2-methoxy-2-methylpropyl)-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine
CID 111605609
1-(2-ethoxyethyl)-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine
CID 111895019
N-cyclopropyl-4-[[N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]butanamide
CID 111935471
2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine
CID 111042287
1-cyclohexyl-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 110958106

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine?
The IUPAC name of 1-cyclopropyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine (CID 110934699) is 1-cyclopropyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine.
What is the SMILES notation for 1-cyclopropyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine?
The canonical SMILES for 1-cyclopropyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine is C/N=C(\NCC(CC(C)C)N1CCCC1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine?
The InChIKey is GOJUVNQEYMDETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-12(2)10-14(19-8-4-5-9-19)11-17-15(16-3)18-13-6-7-13/h12-14H,4-11H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-cyclopropyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine?
1-cyclopropyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine has a molecular weight of 266.43 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine is sourced from PubChem (CID 110934699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).