1-amino-2-(2-methylpropyl)-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine

C11H25N5 — CID 106026186

IUPAC1-amino-2-(2-methylpropyl)-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine
SMILESCC(C)C/N=C(\NN)NCC1CCCN1C
InChIInChI=1S/C11H25N5/c1-9(2)7-13-11(15-12)14-8-10-5-4-6-16(10)3/h9-10H,4-8,12H2,1-3H3,(H2,13,14,15)
InChIKeyGQGWYNYXKVHWDN-UHFFFAOYSA-N
MW227.36 g/mol
LogP0.15
Rot. Bonds4

About 1-amino-2-(2-methylpropyl)-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine

1-amino-2-(2-methylpropyl)-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine (PubChem CID 106026186) has the molecular formula C11H25N5 and a molecular weight of 227.36 g/mol. Its IUPAC name is 1-amino-2-(2-methylpropyl)-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-amino-2-(2-methylpropyl)-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine
PubChem CID106026186
Molecular FormulaC11H25N5
Molecular Weight227.36 g/mol
Exact Mass227.21
IUPAC Name1-amino-2-(2-methylpropyl)-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine
SMILESCC(C)C/N=C(\NN)NCC1CCCN1C
InChIInChI=1S/C11H25N5/c1-9(2)7-13-11(15-12)14-8-10-5-4-6-16(10)3/h9-10H,4-8,12H2,1-3H3,(H2,13,14,15)
InChIKeyGQGWYNYXKVHWDN-UHFFFAOYSA-N
XLogP0.15
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.36
LogP ≤ 50.15
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-methylpiperidin-2-yl)methyl]-2-(2-methylpropyl)guanidine
CID 62364218
1-amino-3-[(3-methylcyclopentyl)methyl]-2-(2-methylpropyl)guanidine
CID 107416145
1-amino-2-(2-methylpropyl)-3-(thian-2-ylmethyl)guanidine
CID 104887588
2-(cyclopropylmethyl)-1-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111870622
[(2S)-1-methylpiperidin-2-yl]methylhydrazine
CID 45087985
1-ethyl-2-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine
CID 109494443
(3S)-3-(aminomethyl)-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]hexanamide
CID 106026147
1-ethyl-2-[2-(3-fluorophenoxy)propyl]-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111681949
1-amino-3-(1,4-dioxan-2-ylmethyl)-2-(2-methylpropyl)guanidine
CID 104884344
N-[2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 104888724
3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-sulfanylbutanamide
CID 106024016
1-amino-3-(3-methylbutyl)-2-(2-methylpropyl)guanidine
CID 104882994

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-methylpropyl)-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine?
The IUPAC name of 1-amino-2-(2-methylpropyl)-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine (CID 106026186) is 1-amino-2-(2-methylpropyl)-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine.
What is the SMILES notation for 1-amino-2-(2-methylpropyl)-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine?
The canonical SMILES for 1-amino-2-(2-methylpropyl)-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine is CC(C)C/N=C(\NN)NCC1CCCN1C.
What is the InChIKey of 1-amino-2-(2-methylpropyl)-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine?
The InChIKey is GQGWYNYXKVHWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N5/c1-9(2)7-13-11(15-12)14-8-10-5-4-6-16(10)3/h9-10H,4-8,12H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-amino-2-(2-methylpropyl)-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine?
1-amino-2-(2-methylpropyl)-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine has a molecular weight of 227.36 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-methylpropyl)-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine is sourced from PubChem (CID 106026186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).