1-amino-2-methyl-3-[1-(oxolan-2-yl)ethyl]guanidine

C8H18N4O — CID 104881996

IUPAC1-amino-2-methyl-3-[1-(oxolan-2-yl)ethyl]guanidine
SMILESC/N=C(\NN)NC(C)C1CCCO1
InChIInChI=1S/C8H18N4O/c1-6(7-4-3-5-13-7)11-8(10-2)12-9/h6-7H,3-5,9H2,1-2H3,(H2,10,11,12)
InChIKeyYQAPNYXEVBWRRW-UHFFFAOYSA-N
MW186.26 g/mol
LogP-0.41
Rot. Bonds2

About 1-amino-2-methyl-3-[1-(oxolan-2-yl)ethyl]guanidine

1-amino-2-methyl-3-[1-(oxolan-2-yl)ethyl]guanidine (PubChem CID 104881996) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-amino-2-methyl-3-[1-(oxolan-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-2-methyl-3-[1-(oxolan-2-yl)ethyl]guanidine
PubChem CID104881996
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name1-amino-2-methyl-3-[1-(oxolan-2-yl)ethyl]guanidine
SMILESC/N=C(\NN)NC(C)C1CCCO1
InChIInChI=1S/C8H18N4O/c1-6(7-4-3-5-13-7)11-8(10-2)12-9/h6-7H,3-5,9H2,1-2H3,(H2,10,11,12)
InChIKeyYQAPNYXEVBWRRW-UHFFFAOYSA-N
XLogP-0.41
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-0.41
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-(oxolan-2-yl)ethylthiourea
CID 43533883
N-[1-(oxolan-2-yl)ethyl]cyclopropanecarboxamide
CID 17330465
2,2-dimethyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 29038214
1-ethyl-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-prop-2-enylguanidine
CID 95318568
ethyl 2-oxo-2-[1-(oxolan-2-yl)ethylamino]acetate
CID 60895927
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018
2-hydroxy-2-methyl-N-[1-(oxolan-2-yl)ethyl]propanamide
CID 104936605
9-amino-N-[1-(oxolan-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985199
4-amino-2-methyl-N-[1-(oxolan-2-yl)ethyl]butanamide
CID 80542445
3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 27233431
4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 27232652
4-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1,4-diamine
CID 79725148

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-[1-(oxolan-2-yl)ethyl]guanidine?
The IUPAC name of 1-amino-2-methyl-3-[1-(oxolan-2-yl)ethyl]guanidine (CID 104881996) is 1-amino-2-methyl-3-[1-(oxolan-2-yl)ethyl]guanidine.
What is the SMILES notation for 1-amino-2-methyl-3-[1-(oxolan-2-yl)ethyl]guanidine?
The canonical SMILES for 1-amino-2-methyl-3-[1-(oxolan-2-yl)ethyl]guanidine is C/N=C(\NN)NC(C)C1CCCO1.
What is the InChIKey of 1-amino-2-methyl-3-[1-(oxolan-2-yl)ethyl]guanidine?
The InChIKey is YQAPNYXEVBWRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-6(7-4-3-5-13-7)11-8(10-2)12-9/h6-7H,3-5,9H2,1-2H3,(H2,10,11,12).
What are the key properties of 1-amino-2-methyl-3-[1-(oxolan-2-yl)ethyl]guanidine?
1-amino-2-methyl-3-[1-(oxolan-2-yl)ethyl]guanidine has a molecular weight of 186.26 g/mol, XLogP of -0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-[1-(oxolan-2-yl)ethyl]guanidine is sourced from PubChem (CID 104881996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).