N-tert-butyl-5-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-amine

C16H29NS — CID 81158763

IUPACN-tert-butyl-5-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-amine
SMILESCc1cc(C)c(CCC(C)CCNC(C)(C)C)s1
InChIInChI=1S/C16H29NS/c1-12(9-10-17-16(4,5)6)7-8-15-13(2)11-14(3)18-15/h11-12,17H,7-10H2,1-6H3
InChIKeyFWFMLWGZBBGREO-UHFFFAOYSA-N
MW267.48 g/mol
LogP4.71
Rot. Bonds6

About N-tert-butyl-5-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-amine

N-tert-butyl-5-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-amine (PubChem CID 81158763) has the molecular formula C16H29NS and a molecular weight of 267.48 g/mol. Its IUPAC name is N-tert-butyl-5-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-5-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-amine
PubChem CID81158763
Molecular FormulaC16H29NS
Molecular Weight267.48 g/mol
Exact Mass267.20
IUPAC NameN-tert-butyl-5-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-amine
SMILESCc1cc(C)c(CCC(C)CCNC(C)(C)C)s1
InChIInChI=1S/C16H29NS/c1-12(9-10-17-16(4,5)6)7-8-15-13(2)11-14(3)18-15/h11-12,17H,7-10H2,1-6H3
InChIKeyFWFMLWGZBBGREO-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.48
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-amine?
The IUPAC name of N-tert-butyl-5-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-amine (CID 81158763) is N-tert-butyl-5-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-amine.
What is the SMILES notation for N-tert-butyl-5-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-amine?
The canonical SMILES for N-tert-butyl-5-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-amine is Cc1cc(C)c(CCC(C)CCNC(C)(C)C)s1.
What is the InChIKey of N-tert-butyl-5-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-amine?
The InChIKey is FWFMLWGZBBGREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NS/c1-12(9-10-17-16(4,5)6)7-8-15-13(2)11-14(3)18-15/h11-12,17H,7-10H2,1-6H3.
What are the key properties of N-tert-butyl-5-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-amine?
N-tert-butyl-5-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-amine has a molecular weight of 267.48 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-amine is sourced from PubChem (CID 81158763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).