1-amino-3-(1-methoxypropan-2-yl)-2-(oxan-4-yl)guanidine

C10H22N4O2 — CID 104884067

IUPAC1-amino-3-(1-methoxypropan-2-yl)-2-(oxan-4-yl)guanidine
SMILESCOCC(C)N/C(=N/C1CCOCC1)NN
InChIInChI=1S/C10H22N4O2/c1-8(7-15-2)12-10(14-11)13-9-3-5-16-6-4-9/h8-9H,3-7,11H2,1-2H3,(H2,12,13,14)
InChIKeyPTCVSJGEWRAPAE-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.39
Rot. Bonds4

About 1-amino-3-(1-methoxypropan-2-yl)-2-(oxan-4-yl)guanidine

1-amino-3-(1-methoxypropan-2-yl)-2-(oxan-4-yl)guanidine (PubChem CID 104884067) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-amino-3-(1-methoxypropan-2-yl)-2-(oxan-4-yl)guanidine.

Molecular Properties

Compound Name1-amino-3-(1-methoxypropan-2-yl)-2-(oxan-4-yl)guanidine
PubChem CID104884067
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC Name1-amino-3-(1-methoxypropan-2-yl)-2-(oxan-4-yl)guanidine
SMILESCOCC(C)N/C(=N/C1CCOCC1)NN
InChIInChI=1S/C10H22N4O2/c1-8(7-15-2)12-10(14-11)13-9-3-5-16-6-4-9/h8-9H,3-7,11H2,1-2H3,(H2,12,13,14)
InChIKeyPTCVSJGEWRAPAE-UHFFFAOYSA-N
XLogP-0.39
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-2-(3-ethylcyclohexyl)-3-(1-methoxypropan-2-yl)guanidine
CID 104886807
1-amino-3-(1-methoxypropan-2-yl)-2-[2-(oxolan-3-yl)ethyl]guanidine
CID 114130897
1-amino-2-cyclopropyl-3-(5-methylhexan-2-yl)guanidine
CID 104886508
1-amino-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-ylethyl)guanidine
CID 104883090
1-amino-3-(1-methoxypropan-2-yl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 104883471
1-amino-3-(1-methoxypropan-2-yl)-2-[2-(4-methylcyclohexyl)ethyl]guanidine
CID 104886649
1-amino-2-cyclopropyl-3-(4-ethylsulfanylbutan-2-yl)guanidine
CID 104889027
1-amino-2-butyl-3-(1-methoxypropan-2-yl)guanidine
CID 104882948
1-amino-2-cyclopentyl-3-(1-methylsulfonylpropan-2-yl)guanidine
CID 104886695
1-methoxy-N-(oxan-4-ylmethyl)propan-2-amine
CID 62386572
1-amino-3-(1-methoxypropan-2-yl)-2-[(5-methylthiophen-2-yl)methyl]guanidine
CID 116513657
1-amino-2-[2-(diethylamino)ethyl]-3-(1-methoxypropan-2-yl)guanidine
CID 104882891

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-methoxypropan-2-yl)-2-(oxan-4-yl)guanidine?
The IUPAC name of 1-amino-3-(1-methoxypropan-2-yl)-2-(oxan-4-yl)guanidine (CID 104884067) is 1-amino-3-(1-methoxypropan-2-yl)-2-(oxan-4-yl)guanidine.
What is the SMILES notation for 1-amino-3-(1-methoxypropan-2-yl)-2-(oxan-4-yl)guanidine?
The canonical SMILES for 1-amino-3-(1-methoxypropan-2-yl)-2-(oxan-4-yl)guanidine is COCC(C)N/C(=N/C1CCOCC1)NN.
What is the InChIKey of 1-amino-3-(1-methoxypropan-2-yl)-2-(oxan-4-yl)guanidine?
The InChIKey is PTCVSJGEWRAPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-8(7-15-2)12-10(14-11)13-9-3-5-16-6-4-9/h8-9H,3-7,11H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-amino-3-(1-methoxypropan-2-yl)-2-(oxan-4-yl)guanidine?
1-amino-3-(1-methoxypropan-2-yl)-2-(oxan-4-yl)guanidine has a molecular weight of 230.31 g/mol, XLogP of -0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-methoxypropan-2-yl)-2-(oxan-4-yl)guanidine is sourced from PubChem (CID 104884067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).