3-amino-2-(1-methoxypropan-2-yl)-1-propan-2-yl-1-(thiophen-2-ylmethyl)guanidine

C13H24N4OS — CID 116514381

IUPAC3-amino-2-(1-methoxypropan-2-yl)-1-propan-2-yl-1-(thiophen-2-ylmethyl)guanidine
SMILESCOCC(C)/N=C(/NN)N(Cc1cccs1)C(C)C
InChIInChI=1S/C13H24N4OS/c1-10(2)17(8-12-6-5-7-19-12)13(16-14)15-11(3)9-18-4/h5-7,10-11H,8-9,14H2,1-4H3,(H,15,16)
InChIKeyURIDQXJDOWAMSQ-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.81
Rot. Bonds6

About 3-amino-2-(1-methoxypropan-2-yl)-1-propan-2-yl-1-(thiophen-2-ylmethyl)guanidine

3-amino-2-(1-methoxypropan-2-yl)-1-propan-2-yl-1-(thiophen-2-ylmethyl)guanidine (PubChem CID 116514381) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-amino-2-(1-methoxypropan-2-yl)-1-propan-2-yl-1-(thiophen-2-ylmethyl)guanidine.

Molecular Properties

Compound Name3-amino-2-(1-methoxypropan-2-yl)-1-propan-2-yl-1-(thiophen-2-ylmethyl)guanidine
PubChem CID116514381
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name3-amino-2-(1-methoxypropan-2-yl)-1-propan-2-yl-1-(thiophen-2-ylmethyl)guanidine
SMILESCOCC(C)/N=C(/NN)N(Cc1cccs1)C(C)C
InChIInChI=1S/C13H24N4OS/c1-10(2)17(8-12-6-5-7-19-12)13(16-14)15-11(3)9-18-4/h5-7,10-11H,8-9,14H2,1-4H3,(H,15,16)
InChIKeyURIDQXJDOWAMSQ-UHFFFAOYSA-N
XLogP1.81
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.81
H-Bond Donors ≤ 52
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

2-methoxy-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 112686946
3-amino-1-cyclopropyl-2-propan-2-yl-1-(thiophen-2-ylmethyl)guanidine
CID 116514760
2-[propan-2-yl(thiophen-2-ylmethyl)amino]propanehydrazide
CID 63583861
3-(1-methoxypropan-2-yl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea
CID 115570922
3-amino-2-(2-methoxyethyl)-1-methyl-1-(2-thiophen-2-ylethyl)guanidine
CID 116515816
2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289696
2-amino-3-methoxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 81081754
3-methoxy-2-N-propan-2-yl-1-N-propyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 103226159
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
2-amino-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 54946987
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289693

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(1-methoxypropan-2-yl)-1-propan-2-yl-1-(thiophen-2-ylmethyl)guanidine?
The IUPAC name of 3-amino-2-(1-methoxypropan-2-yl)-1-propan-2-yl-1-(thiophen-2-ylmethyl)guanidine (CID 116514381) is 3-amino-2-(1-methoxypropan-2-yl)-1-propan-2-yl-1-(thiophen-2-ylmethyl)guanidine.
What is the SMILES notation for 3-amino-2-(1-methoxypropan-2-yl)-1-propan-2-yl-1-(thiophen-2-ylmethyl)guanidine?
The canonical SMILES for 3-amino-2-(1-methoxypropan-2-yl)-1-propan-2-yl-1-(thiophen-2-ylmethyl)guanidine is COCC(C)/N=C(/NN)N(Cc1cccs1)C(C)C.
What is the InChIKey of 3-amino-2-(1-methoxypropan-2-yl)-1-propan-2-yl-1-(thiophen-2-ylmethyl)guanidine?
The InChIKey is URIDQXJDOWAMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-10(2)17(8-12-6-5-7-19-12)13(16-14)15-11(3)9-18-4/h5-7,10-11H,8-9,14H2,1-4H3,(H,15,16).
What are the key properties of 3-amino-2-(1-methoxypropan-2-yl)-1-propan-2-yl-1-(thiophen-2-ylmethyl)guanidine?
3-amino-2-(1-methoxypropan-2-yl)-1-propan-2-yl-1-(thiophen-2-ylmethyl)guanidine has a molecular weight of 284.43 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(1-methoxypropan-2-yl)-1-propan-2-yl-1-(thiophen-2-ylmethyl)guanidine is sourced from PubChem (CID 116514381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).