N-tert-butyl-3-methyl-2-(thiophen-3-ylmethylidene)butan-1-amine

C14H23NS — CID 79338658

IUPACN-tert-butyl-3-methyl-2-(thiophen-3-ylmethylidene)butan-1-amine
SMILESCC(C)C(=Cc1ccsc1)CNC(C)(C)C
InChIInChI=1S/C14H23NS/c1-11(2)13(9-15-14(3,4)5)8-12-6-7-16-10-12/h6-8,10-11,15H,9H2,1-5H3
InChIKeyLAQHCGCEYUGODK-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.18
Rot. Bonds4

About N-tert-butyl-3-methyl-2-(thiophen-3-ylmethylidene)butan-1-amine

N-tert-butyl-3-methyl-2-(thiophen-3-ylmethylidene)butan-1-amine (PubChem CID 79338658) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-2-(thiophen-3-ylmethylidene)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-2-(thiophen-3-ylmethylidene)butan-1-amine
PubChem CID79338658
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-tert-butyl-3-methyl-2-(thiophen-3-ylmethylidene)butan-1-amine
SMILESCC(C)C(=Cc1ccsc1)CNC(C)(C)C
InChIInChI=1S/C14H23NS/c1-11(2)13(9-15-14(3,4)5)8-12-6-7-16-10-12/h6-8,10-11,15H,9H2,1-5H3
InChIKeyLAQHCGCEYUGODK-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2Z)-N-tert-butyl-2-[[4-(difluoromethyl)phenyl]methylidene]-3-methylbutan-1-amine
CID 115525791
N-tert-butyl-3-methyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine
CID 79342446
(2E)-N-tert-butyl-2-[(6-methoxy-3-pyridinyl)methylidene]-3-methylbutan-1-amine
CID 114938948
2-(tert-butylamino)-N-(1-thiophen-3-ylethyl)acetamide
CID 79257384
N-tert-butyl-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylidene]-3-methylbutan-1-amine
CID 104863094
(E)-N-ethyl-3-methyl-4-thiophen-3-ylbut-3-en-2-amine
CID 103093361
2-[(5-bromo-2-methoxyphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine
CID 79338927
N-tert-butyl-2-methyl-3-thiophen-3-ylpropan-1-amine
CID 62530694
4-methyl-1-thiophen-3-ylpent-1-en-3-one
CID 54153375
2,2-dimethyl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62090002
3-[2-(bromomethyl)but-1-enyl]thiophene
CID 79324461
sodium (E)-2-methyl-3-thiophen-3-ylprop-2-enoate
CID 134871015

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-2-(thiophen-3-ylmethylidene)butan-1-amine?
The IUPAC name of N-tert-butyl-3-methyl-2-(thiophen-3-ylmethylidene)butan-1-amine (CID 79338658) is N-tert-butyl-3-methyl-2-(thiophen-3-ylmethylidene)butan-1-amine.
What is the SMILES notation for N-tert-butyl-3-methyl-2-(thiophen-3-ylmethylidene)butan-1-amine?
The canonical SMILES for N-tert-butyl-3-methyl-2-(thiophen-3-ylmethylidene)butan-1-amine is CC(C)C(=Cc1ccsc1)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-methyl-2-(thiophen-3-ylmethylidene)butan-1-amine?
The InChIKey is LAQHCGCEYUGODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-11(2)13(9-15-14(3,4)5)8-12-6-7-16-10-12/h6-8,10-11,15H,9H2,1-5H3.
What are the key properties of N-tert-butyl-3-methyl-2-(thiophen-3-ylmethylidene)butan-1-amine?
N-tert-butyl-3-methyl-2-(thiophen-3-ylmethylidene)butan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-2-(thiophen-3-ylmethylidene)butan-1-amine is sourced from PubChem (CID 79338658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).