1-amino-3-(1-methylpyrrolidin-3-yl)-2-propylguanidine

C9H21N5 — CID 104885074

IUPAC1-amino-3-(1-methylpyrrolidin-3-yl)-2-propylguanidine
SMILESCCC/N=C(\NN)NC1CCN(C)C1
InChIInChI=1S/C9H21N5/c1-3-5-11-9(13-10)12-8-4-6-14(2)7-8/h8H,3-7,10H2,1-2H3,(H2,11,12,13)
InChIKeyFXNJTGVZXXNYTJ-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.49
Rot. Bonds3

About 1-amino-3-(1-methylpyrrolidin-3-yl)-2-propylguanidine

1-amino-3-(1-methylpyrrolidin-3-yl)-2-propylguanidine (PubChem CID 104885074) has the molecular formula C9H21N5 and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-amino-3-(1-methylpyrrolidin-3-yl)-2-propylguanidine.

Molecular Properties

Compound Name1-amino-3-(1-methylpyrrolidin-3-yl)-2-propylguanidine
PubChem CID104885074
Molecular FormulaC9H21N5
Molecular Weight199.30 g/mol
Exact Mass199.18
IUPAC Name1-amino-3-(1-methylpyrrolidin-3-yl)-2-propylguanidine
SMILESCCC/N=C(\NN)NC1CCN(C)C1
InChIInChI=1S/C9H21N5/c1-3-5-11-9(13-10)12-8-4-6-14(2)7-8/h8H,3-7,10H2,1-2H3,(H2,11,12,13)
InChIKeyFXNJTGVZXXNYTJ-UHFFFAOYSA-N
XLogP-0.49
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1-methylpyrrolidin-3-yl)-2-propylguanidine
CID 62363794
1-amino-2-(3-methoxypropyl)-3-(1-methylpiperidin-4-yl)guanidine
CID 104883732
1-amino-2-butyl-3-(1-ethylpiperidin-3-yl)guanidine
CID 104884783
1-amino-3-(1,3-dimethylpiperidin-4-yl)-2-(3-ethoxypropyl)guanidine
CID 104931190
1-amino-2-(3-methoxypropyl)-3-(1-propylpiperidin-4-yl)guanidine
CID 104885498
1-amino-2-cyclopentyl-3-(1-methylpiperidin-3-yl)guanidine
CID 104884363
N-(1-methylpyrrolidin-3-yl)butanamide
CID 18723360
1-amino-3-(1,2-dimethylpiperidin-4-yl)-2-ethylguanidine
CID 104887817
1-amino-3-cyclopropyl-2-(2-cyclopropylethyl)guanidine
CID 104887133
ethyl N-(1-methylpyrrolidin-3-yl)carbamate
CID 61355543
N-[(3R)-1-methylpyrrolidin-3-yl]-2-propylpentanamide
CID 167206837
1-amino-3-(2,3-dimethylcyclohexyl)-2-propylguanidine
CID 104883054

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-methylpyrrolidin-3-yl)-2-propylguanidine?
The IUPAC name of 1-amino-3-(1-methylpyrrolidin-3-yl)-2-propylguanidine (CID 104885074) is 1-amino-3-(1-methylpyrrolidin-3-yl)-2-propylguanidine.
What is the SMILES notation for 1-amino-3-(1-methylpyrrolidin-3-yl)-2-propylguanidine?
The canonical SMILES for 1-amino-3-(1-methylpyrrolidin-3-yl)-2-propylguanidine is CCC/N=C(\NN)NC1CCN(C)C1.
What is the InChIKey of 1-amino-3-(1-methylpyrrolidin-3-yl)-2-propylguanidine?
The InChIKey is FXNJTGVZXXNYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N5/c1-3-5-11-9(13-10)12-8-4-6-14(2)7-8/h8H,3-7,10H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-amino-3-(1-methylpyrrolidin-3-yl)-2-propylguanidine?
1-amino-3-(1-methylpyrrolidin-3-yl)-2-propylguanidine has a molecular weight of 199.30 g/mol, XLogP of -0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-methylpyrrolidin-3-yl)-2-propylguanidine is sourced from PubChem (CID 104885074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).