2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-propan-2-ylguanidine;hydroiodide

C15H33IN4 — CID 111125178

IUPAC2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-propan-2-ylguanidine;hydroiodide
SMILESC/N=C(/NCC(CC(C)C)N1CCCC1)NC(C)C.I
InChIInChI=1S/C15H32N4.HI/c1-12(2)10-14(19-8-6-7-9-19)11-17-15(16-5)18-13(3)4;/h12-14H,6-11H2,1-5H3,(H2,16,17,18);1H
InChIKeyHDXAMWWHUUWRPC-UHFFFAOYSA-N
MW396.36 g/mol
LogP2.69
Rot. Bonds6

About 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-propan-2-ylguanidine;hydroiodide

2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-propan-2-ylguanidine;hydroiodide (PubChem CID 111125178) has the molecular formula C15H33IN4 and a molecular weight of 396.36 g/mol. Its IUPAC name is 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-propan-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-propan-2-ylguanidine;hydroiodide
PubChem CID111125178
Molecular FormulaC15H33IN4
Molecular Weight396.36 g/mol
Exact Mass396.17
IUPAC Name2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-propan-2-ylguanidine;hydroiodide
SMILESC/N=C(/NCC(CC(C)C)N1CCCC1)NC(C)C.I
InChIInChI=1S/C15H32N4.HI/c1-12(2)10-14(19-8-6-7-9-19)11-17-15(16-5)18-13(3)4;/h12-14H,6-11H2,1-5H3,(H2,16,17,18);1H
InChIKeyHDXAMWWHUUWRPC-UHFFFAOYSA-N
XLogP2.69
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 52.69
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-butan-2-yl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine
CID 110946050
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine
CID 111000019
1-cyclopropyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine
CID 110934699
1-butyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine
CID 111150541
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
2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111042286
1-(3-ethyl-2-pyrrolidin-1-ylpentyl)-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111125796
2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine
CID 111042287
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide
CID 111953932
N,N-dimethyl-1-[[[N'-methyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 111569860
1-[2-(azepan-1-yl)ethyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111936106

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-propan-2-ylguanidine;hydroiodide?
The IUPAC name of 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-propan-2-ylguanidine;hydroiodide (CID 111125178) is 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-propan-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-propan-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-propan-2-ylguanidine;hydroiodide is C/N=C(/NCC(CC(C)C)N1CCCC1)NC(C)C.I.
What is the InChIKey of 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-propan-2-ylguanidine;hydroiodide?
The InChIKey is HDXAMWWHUUWRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4.HI/c1-12(2)10-14(19-8-6-7-9-19)11-17-15(16-5)18-13(3)4;/h12-14H,6-11H2,1-5H3,(H2,16,17,18);1H.
What are the key properties of 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-propan-2-ylguanidine;hydroiodide?
2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-propan-2-ylguanidine;hydroiodide has a molecular weight of 396.36 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-propan-2-ylguanidine;hydroiodide is sourced from PubChem (CID 111125178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).