1-amino-2-(2-methoxy-2-methylpropyl)-3-propan-2-ylguanidine

C9H22N4O — CID 104888779

IUPAC1-amino-2-(2-methoxy-2-methylpropyl)-3-propan-2-ylguanidine
SMILESCOC(C)(C)C/N=C(/NN)NC(C)C
InChIInChI=1S/C9H22N4O/c1-7(2)12-8(13-10)11-6-9(3,4)14-5/h7H,6,10H2,1-5H3,(H2,11,12,13)
InChIKeyANKLYYWNTRHQCC-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.23
Rot. Bonds4

About 1-amino-2-(2-methoxy-2-methylpropyl)-3-propan-2-ylguanidine

1-amino-2-(2-methoxy-2-methylpropyl)-3-propan-2-ylguanidine (PubChem CID 104888779) has the molecular formula C9H22N4O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-amino-2-(2-methoxy-2-methylpropyl)-3-propan-2-ylguanidine.

Molecular Properties

Compound Name1-amino-2-(2-methoxy-2-methylpropyl)-3-propan-2-ylguanidine
PubChem CID104888779
Molecular FormulaC9H22N4O
Molecular Weight202.30 g/mol
Exact Mass202.18
IUPAC Name1-amino-2-(2-methoxy-2-methylpropyl)-3-propan-2-ylguanidine
SMILESCOC(C)(C)C/N=C(/NN)NC(C)C
InChIInChI=1S/C9H22N4O/c1-7(2)12-8(13-10)11-6-9(3,4)14-5/h7H,6,10H2,1-5H3,(H2,11,12,13)
InChIKeyANKLYYWNTRHQCC-UHFFFAOYSA-N
XLogP0.23
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.23
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-Amino-3-butyl-2-(2-methoxypropyl)guanidine
CID 102702157
1-Amino-3-(2-methoxypropyl)-2-(2-methylpropyl)guanidine
CID 102702159
1-Amino-2-(2-methoxypropyl)-3-propylguanidine
CID 102702161
1-Amino-3-ethyl-2-(2-methoxypropyl)guanidine
CID 102702162
1-Amino-2-(2-methoxypropyl)-3-propan-2-ylguanidine
CID 102702163
1-Amino-3-cyclopropyl-2-(2-methoxypropyl)guanidine
CID 102702165
1-Amino-3-(1-methoxypropan-2-yl)-2-(2-methoxypropyl)guanidine
CID 102702167
1-Amino-3-(2-methoxyethyl)-2-(2-methoxypropyl)guanidine
CID 102702168
1-Amino-2-(2,2-dimethylbutyl)-3-(1-methoxypropan-2-yl)guanidine
CID 103466917
1-Amino-3-(1-methoxypropan-2-yl)-2-methylguanidine
CID 104881934
1-Amino-3-(1-ethoxypropan-2-yl)-2-methylguanidine
CID 104882093
1-Amino-3-(1-methoxybutan-2-yl)-2-methylguanidine
CID 104882287

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-methoxy-2-methylpropyl)-3-propan-2-ylguanidine?
The IUPAC name of 1-amino-2-(2-methoxy-2-methylpropyl)-3-propan-2-ylguanidine (CID 104888779) is 1-amino-2-(2-methoxy-2-methylpropyl)-3-propan-2-ylguanidine.
What is the SMILES notation for 1-amino-2-(2-methoxy-2-methylpropyl)-3-propan-2-ylguanidine?
The canonical SMILES for 1-amino-2-(2-methoxy-2-methylpropyl)-3-propan-2-ylguanidine is COC(C)(C)C/N=C(/NN)NC(C)C.
What is the InChIKey of 1-amino-2-(2-methoxy-2-methylpropyl)-3-propan-2-ylguanidine?
The InChIKey is ANKLYYWNTRHQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O/c1-7(2)12-8(13-10)11-6-9(3,4)14-5/h7H,6,10H2,1-5H3,(H2,11,12,13).
What are the key properties of 1-amino-2-(2-methoxy-2-methylpropyl)-3-propan-2-ylguanidine?
1-amino-2-(2-methoxy-2-methylpropyl)-3-propan-2-ylguanidine has a molecular weight of 202.30 g/mol, XLogP of 0.23, 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-methoxy-2-methylpropyl)-3-propan-2-ylguanidine is sourced from PubChem (CID 104888779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).