3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-3-phenylpropanimidamide

C17H23N3S — CID 79477086

IUPAC3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-3-phenylpropanimidamide
SMILES[H]/N=C(\N)CC(c1ccccc1)N(C)C(C)Cc1cccs1
InChIInChI=1S/C17H23N3S/c1-13(11-15-9-6-10-21-15)20(2)16(12-17(18)19)14-7-4-3-5-8-14/h3-10,13,16H,11-12H2,1-2H3,(H3,18,19)
InChIKeyPVHUQLISOSOSCB-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.68
Rot. Bonds7

About 3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-3-phenylpropanimidamide

3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-3-phenylpropanimidamide (PubChem CID 79477086) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-3-phenylpropanimidamide.

Molecular Properties

Compound Name3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-3-phenylpropanimidamide
PubChem CID79477086
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-3-phenylpropanimidamide
SMILES[H]/N=C(\N)CC(c1ccccc1)N(C)C(C)Cc1cccs1
InChIInChI=1S/C17H23N3S/c1-13(11-15-9-6-10-21-15)20(2)16(12-17(18)19)14-7-4-3-5-8-14/h3-10,13,16H,11-12H2,1-2H3,(H3,18,19)
InChIKeyPVHUQLISOSOSCB-UHFFFAOYSA-N
XLogP3.68
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,N'-dimethyl-1-phenyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79493768
4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanimidamide
CID 79476012
3-[2-methylpropyl(propan-2-yl)amino]-3-phenylpropanimidamide
CID 55117825
3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanehydrazide
CID 79494279
(2R)-2-amino-N-methyl-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 79494338
1-(2-bromophenyl)-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine
CID 79471927
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-4-carboximidamide
CID 79476522
1-N-methyl-1-pyridin-3-yl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine
CID 79476253
N-methyl-1-pyridin-2-yl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79475879
3-phenylbutanimidamide;hydrochloride
CID 69158161
3-[methyl-[(2-methylphenyl)methyl]amino]-3-phenylpropanimidamide
CID 62778596
2-methyl-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenecarboximidamide
CID 81275974

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-3-phenylpropanimidamide?
The IUPAC name of 3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-3-phenylpropanimidamide (CID 79477086) is 3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-3-phenylpropanimidamide.
What is the SMILES notation for 3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-3-phenylpropanimidamide?
The canonical SMILES for 3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-3-phenylpropanimidamide is [H]/N=C(\N)CC(c1ccccc1)N(C)C(C)Cc1cccs1.
What is the InChIKey of 3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-3-phenylpropanimidamide?
The InChIKey is PVHUQLISOSOSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-13(11-15-9-6-10-21-15)20(2)16(12-17(18)19)14-7-4-3-5-8-14/h3-10,13,16H,11-12H2,1-2H3,(H3,18,19).
What are the key properties of 3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-3-phenylpropanimidamide?
3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-3-phenylpropanimidamide has a molecular weight of 301.46 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-3-phenylpropanimidamide is sourced from PubChem (CID 79477086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).