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

C11H27N5O — CID 104882518

IUPAC1-amino-3-(1-methoxypropan-2-yl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
SMILESCOCC(C)N/C(=N/CCN(C)C(C)C)NN
InChIInChI=1S/C11H27N5O/c1-9(2)16(4)7-6-13-11(15-12)14-10(3)8-17-5/h9-10H,6-8,12H2,1-5H3,(H2,13,14,15)
InChIKeyKVKUIJITLMGYHN-UHFFFAOYSA-N
MW245.37 g/mol
LogP-0.23
Rot. Bonds7

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

1-amino-3-(1-methoxypropan-2-yl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine (PubChem CID 104882518) has the molecular formula C11H27N5O and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-amino-3-(1-methoxypropan-2-yl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine.

Molecular Properties

Compound Name1-amino-3-(1-methoxypropan-2-yl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
PubChem CID104882518
Molecular FormulaC11H27N5O
Molecular Weight245.37 g/mol
Exact Mass245.22
IUPAC Name1-amino-3-(1-methoxypropan-2-yl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
SMILESCOCC(C)N/C(=N/CCN(C)C(C)C)NN
InChIInChI=1S/C11H27N5O/c1-9(2)16(4)7-6-13-11(15-12)14-10(3)8-17-5/h9-10H,6-8,12H2,1-5H3,(H2,13,14,15)
InChIKeyKVKUIJITLMGYHN-UHFFFAOYSA-N
XLogP-0.23
TPSA74.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 5-0.23
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-3-(1-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)guanidine
CID 104885799
1-Amino-2-(2,2-difluoroethyl)-3-(1-methoxypropan-2-yl)guanidine
CID 104887783
1-Amino-3-(1-methoxypropan-2-yl)-2-(4,4,4-trifluorobutan-2-yl)guanidine
CID 105937766
1-Amino-3-(1-methoxypropan-2-yl)-2-(2,2,3,3-tetrafluoropropyl)guanidine
CID 106296460
1-Amino-3-(1-methoxypropan-2-yl)-2-(4,4,4-trifluorobutyl)guanidine
CID 113531338
2-[2-[2-Methoxyethyl(methyl)amino]ethyl]-1-propan-2-ylguanidine
CID 62849389
2-[2-[Ethyl(propan-2-yl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 75533049
2-[2-[Ethyl(propan-2-yl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine
CID 75533050
2-[2-[ethyl(propan-2-yl)amino]ethyl]-1-[(2S)-1-methoxypropan-2-yl]guanidine
CID 95761563
2-[2-[ethyl(propan-2-yl)amino]ethyl]-1-[(2R)-1-methoxypropan-2-yl]guanidine
CID 95761564
1-Amino-2-(2-methoxypropyl)-3-propan-2-ylguanidine
CID 102702163
1-Amino-3-(1-methoxypropan-2-yl)-2-(2-methoxypropyl)guanidine
CID 102702167

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-methoxypropan-2-yl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine?
The IUPAC name of 1-amino-3-(1-methoxypropan-2-yl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine (CID 104882518) is 1-amino-3-(1-methoxypropan-2-yl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine.
What is the SMILES notation for 1-amino-3-(1-methoxypropan-2-yl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine?
The canonical SMILES for 1-amino-3-(1-methoxypropan-2-yl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine is COCC(C)N/C(=N/CCN(C)C(C)C)NN.
What is the InChIKey of 1-amino-3-(1-methoxypropan-2-yl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine?
The InChIKey is KVKUIJITLMGYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N5O/c1-9(2)16(4)7-6-13-11(15-12)14-10(3)8-17-5/h9-10H,6-8,12H2,1-5H3,(H2,13,14,15).
What are the key properties of 1-amino-3-(1-methoxypropan-2-yl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine?
1-amino-3-(1-methoxypropan-2-yl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine has a molecular weight of 245.37 g/mol, XLogP of -0.23, 7 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-[2-[methyl(propan-2-yl)amino]ethyl]guanidine is sourced from PubChem (CID 104882518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).