2-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethyl)pentan-1-amine

C16H29NS — CID 55237684

IUPAC2-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethyl)pentan-1-amine
SMILESCCCC(C)(CCc1cccs1)CNCC(C)C
InChIInChI=1S/C16H29NS/c1-5-9-16(4,13-17-12-14(2)3)10-8-15-7-6-11-18-15/h6-7,11,14,17H,5,8-10,12-13H2,1-4H3
InChIKeyPNQHHKJVNQREBV-UHFFFAOYSA-N
MW267.48 g/mol
LogP4.73
Rot. Bonds9

About 2-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethyl)pentan-1-amine

2-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethyl)pentan-1-amine (PubChem CID 55237684) has the molecular formula C16H29NS and a molecular weight of 267.48 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethyl)pentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethyl)pentan-1-amine
PubChem CID55237684
Molecular FormulaC16H29NS
Molecular Weight267.48 g/mol
Exact Mass267.20
IUPAC Name2-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethyl)pentan-1-amine
SMILESCCCC(C)(CCc1cccs1)CNCC(C)C
InChIInChI=1S/C16H29NS/c1-5-9-16(4,13-17-12-14(2)3)10-8-15-7-6-11-18-15/h6-7,11,14,17H,5,8-10,12-13H2,1-4H3
InChIKeyPNQHHKJVNQREBV-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.48
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine
CID 63773755
2-[3-(chloromethyl)-3-methylhexyl]thiophene
CID 66034465
2-ethyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)hexan-1-amine
CID 55197007
2-methyl-N-propan-2-yl-2-(thiophen-2-ylmethyl)pentan-1-amine
CID 62725024
N-ethyl-2,2-dimethyl-4-thiophen-2-ylbutan-1-amine
CID 63774462
2-methyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)but-3-en-1-amine
CID 102641460
2-methyl-N,N'-di(propan-2-yl)-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 63492986
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
CID 79494546
N-benzyl-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 63483776
4-(2-thiophen-2-ylethyl)heptan-4-ol
CID 114865888
2-methyl-N-(2-methylpropyl)-2-propylnonan-1-amine
CID 63509093
2,2-diethyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 63773575

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethyl)pentan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethyl)pentan-1-amine (CID 55237684) is 2-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethyl)pentan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethyl)pentan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethyl)pentan-1-amine is CCCC(C)(CCc1cccs1)CNCC(C)C.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethyl)pentan-1-amine?
The InChIKey is PNQHHKJVNQREBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NS/c1-5-9-16(4,13-17-12-14(2)3)10-8-15-7-6-11-18-15/h6-7,11,14,17H,5,8-10,12-13H2,1-4H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethyl)pentan-1-amine?
2-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethyl)pentan-1-amine has a molecular weight of 267.48 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethyl)pentan-1-amine is sourced from PubChem (CID 55237684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).