N-cyclopropyl-2,2-dimethyl-N-(thiophen-2-ylmethyl)propanimidamide

C13H20N2S — CID 63177482

IUPACN-cyclopropyl-2,2-dimethyl-N-(thiophen-2-ylmethyl)propanimidamide
SMILES[H]/N=C(/N(Cc1cccs1)C1CC1)C(C)(C)C
InChIInChI=1S/C13H20N2S/c1-13(2,3)12(14)15(10-6-7-10)9-11-5-4-8-16-11/h4-5,8,10,14H,6-7,9H2,1-3H3/b14-12+
InChIKeyHPMILVYAXOEPMC-WYMLVPIESA-N
MW236.38 g/mol
LogP3.74
Rot. Bonds3

About N-cyclopropyl-2,2-dimethyl-N-(thiophen-2-ylmethyl)propanimidamide

N-cyclopropyl-2,2-dimethyl-N-(thiophen-2-ylmethyl)propanimidamide (PubChem CID 63177482) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N-cyclopropyl-2,2-dimethyl-N-(thiophen-2-ylmethyl)propanimidamide.

Molecular Properties

Compound NameN-cyclopropyl-2,2-dimethyl-N-(thiophen-2-ylmethyl)propanimidamide
PubChem CID63177482
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC NameN-cyclopropyl-2,2-dimethyl-N-(thiophen-2-ylmethyl)propanimidamide
SMILES[H]/N=C(/N(Cc1cccs1)C1CC1)C(C)(C)C
InChIInChI=1S/C13H20N2S/c1-13(2,3)12(14)15(10-6-7-10)9-11-5-4-8-16-11/h4-5,8,10,14H,6-7,9H2,1-3H3/b14-12+
InChIKeyHPMILVYAXOEPMC-WYMLVPIESA-N
XLogP3.74
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 65269853
3-tert-butyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)urea
CID 113224633
(2R)-2-amino-N-cyclopropyl-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 113353364
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610647
N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 78852309
4-[cyclopropyl(thiophen-2-ylmethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992646
N-cyclopropyl-4-(methylamino)-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119715445
(1S,6R)-6-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962163
N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62261097
N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 52571989
1-N-cyclopropyl-2-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 79811729
2-[carboxymethyl-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]acetic acid
CID 63647136

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,2-dimethyl-N-(thiophen-2-ylmethyl)propanimidamide?
The IUPAC name of N-cyclopropyl-2,2-dimethyl-N-(thiophen-2-ylmethyl)propanimidamide (CID 63177482) is N-cyclopropyl-2,2-dimethyl-N-(thiophen-2-ylmethyl)propanimidamide.
What is the SMILES notation for N-cyclopropyl-2,2-dimethyl-N-(thiophen-2-ylmethyl)propanimidamide?
The canonical SMILES for N-cyclopropyl-2,2-dimethyl-N-(thiophen-2-ylmethyl)propanimidamide is [H]/N=C(/N(Cc1cccs1)C1CC1)C(C)(C)C.
What is the InChIKey of N-cyclopropyl-2,2-dimethyl-N-(thiophen-2-ylmethyl)propanimidamide?
The InChIKey is HPMILVYAXOEPMC-WYMLVPIESA-N. The full InChI is InChI=1S/C13H20N2S/c1-13(2,3)12(14)15(10-6-7-10)9-11-5-4-8-16-11/h4-5,8,10,14H,6-7,9H2,1-3H3/b14-12+.
What are the key properties of N-cyclopropyl-2,2-dimethyl-N-(thiophen-2-ylmethyl)propanimidamide?
N-cyclopropyl-2,2-dimethyl-N-(thiophen-2-ylmethyl)propanimidamide has a molecular weight of 236.38 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,2-dimethyl-N-(thiophen-2-ylmethyl)propanimidamide is sourced from PubChem (CID 63177482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).