N-[(5-tert-butylthiophen-2-yl)methyl]-2-cyclopropyloxolan-3-amine

C16H25NOS — CID 103864566

IUPACN-[(5-tert-butylthiophen-2-yl)methyl]-2-cyclopropyloxolan-3-amine
SMILESCC(C)(C)c1ccc(CNC2CCOC2C2CC2)s1
InChIInChI=1S/C16H25NOS/c1-16(2,3)14-7-6-12(19-14)10-17-13-8-9-18-15(13)11-4-5-11/h6-7,11,13,15,17H,4-5,8-10H2,1-3H3
InChIKeyFTDUKIAUFWNQCM-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.70
Rot. Bonds4

About N-[(5-tert-butylthiophen-2-yl)methyl]-2-cyclopropyloxolan-3-amine

N-[(5-tert-butylthiophen-2-yl)methyl]-2-cyclopropyloxolan-3-amine (PubChem CID 103864566) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is N-[(5-tert-butylthiophen-2-yl)methyl]-2-cyclopropyloxolan-3-amine.

Molecular Properties

Compound NameN-[(5-tert-butylthiophen-2-yl)methyl]-2-cyclopropyloxolan-3-amine
PubChem CID103864566
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC NameN-[(5-tert-butylthiophen-2-yl)methyl]-2-cyclopropyloxolan-3-amine
SMILESCC(C)(C)c1ccc(CNC2CCOC2C2CC2)s1
InChIInChI=1S/C16H25NOS/c1-16(2,3)14-7-6-12(19-14)10-17-13-8-9-18-15(13)11-4-5-11/h6-7,11,13,15,17H,4-5,8-10H2,1-3H3
InChIKeyFTDUKIAUFWNQCM-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-tert-butylthiophen-2-yl)methyl]-3-methylcyclobutan-1-amine
CID 115742240
2-cyclopropyl-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine
CID 103864495
tert-butyl N-[2-[(5-tert-butylthiophen-2-yl)methylamino]cyclopropyl]carbamate
CID 107238324
2-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
CID 103864489
2-cyclopropyl-N-[[4-(2-methylpropyl)phenyl]methyl]oxolan-3-amine
CID 103864424
2-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-4-methylphenol
CID 113341265
2-cyclopropyl-N-[[4-(diethylamino)phenyl]methyl]oxolan-3-amine
CID 103864488
N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropyloxolan-3-amine
CID 103527586
2-chloro-4-[[(2-cyclopropyloxolan-3-yl)amino]methyl]phenol
CID 103864542
2-cyclopropyl-N-[(2-fluorophenyl)methyl]oxolan-3-amine
CID 103864475
N-[(5-tert-butylthiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 81499013
2-cyclopropyl-N-[(3-methyl-2-pyridinyl)methyl]oxolan-3-amine
CID 113384129

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butylthiophen-2-yl)methyl]-2-cyclopropyloxolan-3-amine?
The IUPAC name of N-[(5-tert-butylthiophen-2-yl)methyl]-2-cyclopropyloxolan-3-amine (CID 103864566) is N-[(5-tert-butylthiophen-2-yl)methyl]-2-cyclopropyloxolan-3-amine.
What is the SMILES notation for N-[(5-tert-butylthiophen-2-yl)methyl]-2-cyclopropyloxolan-3-amine?
The canonical SMILES for N-[(5-tert-butylthiophen-2-yl)methyl]-2-cyclopropyloxolan-3-amine is CC(C)(C)c1ccc(CNC2CCOC2C2CC2)s1.
What is the InChIKey of N-[(5-tert-butylthiophen-2-yl)methyl]-2-cyclopropyloxolan-3-amine?
The InChIKey is FTDUKIAUFWNQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-16(2,3)14-7-6-12(19-14)10-17-13-8-9-18-15(13)11-4-5-11/h6-7,11,13,15,17H,4-5,8-10H2,1-3H3.
What are the key properties of N-[(5-tert-butylthiophen-2-yl)methyl]-2-cyclopropyloxolan-3-amine?
N-[(5-tert-butylthiophen-2-yl)methyl]-2-cyclopropyloxolan-3-amine has a molecular weight of 279.45 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butylthiophen-2-yl)methyl]-2-cyclopropyloxolan-3-amine is sourced from PubChem (CID 103864566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).