2-ethyl-2-(thiophen-2-ylmethyl)hexan-1-amine

C13H23NS — CID 62725494

IUPAC2-ethyl-2-(thiophen-2-ylmethyl)hexan-1-amine
SMILESCCCCC(CC)(CN)Cc1cccs1
InChIInChI=1S/C13H23NS/c1-3-5-8-13(4-2,11-14)10-12-7-6-9-15-12/h6-7,9H,3-5,8,10-11,14H2,1-2H3
InChIKeySRMNPRFGNWCHQL-UHFFFAOYSA-N
MW225.40 g/mol
LogP3.84
Rot. Bonds7

About 2-ethyl-2-(thiophen-2-ylmethyl)hexan-1-amine

2-ethyl-2-(thiophen-2-ylmethyl)hexan-1-amine (PubChem CID 62725494) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 2-ethyl-2-(thiophen-2-ylmethyl)hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-(thiophen-2-ylmethyl)hexan-1-amine
PubChem CID62725494
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name2-ethyl-2-(thiophen-2-ylmethyl)hexan-1-amine
SMILESCCCCC(CC)(CN)Cc1cccs1
InChIInChI=1S/C13H23NS/c1-3-5-8-13(4-2,11-14)10-12-7-6-9-15-12/h6-7,9H,3-5,8,10-11,14H2,1-2H3
InChIKeySRMNPRFGNWCHQL-UHFFFAOYSA-N
XLogP3.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)hexan-1-amine
CID 55197007
2-[2,2-bis(bromomethyl)butyl]thiophene
CID 79456515
2-ethyl-N-methyl-2-(2-thiophen-2-ylethyl)hexan-1-amine
CID 63773571
2-butyl-2-ethylhexan-1-amine
CID 62725100
2-(3,3-dimethylheptyl)thiophene
CID 57210788
2-butylthiophene;methanamine
CID 143080300
2-methyl-1-thiophen-2-ylpropan-2-amine
CID 13096683
2-methyl-2-N-(thiophen-2-ylmethyl)heptane-1,2-diamine
CID 80557369
N-[2-ethyl-2-(thiophen-2-ylmethyl)butyl]cyclopropanamine
CID 62723656
2-butyl-2-ethyldodecan-1-amine
CID 55195465
ethane;2-pentylthiophene
CID 143883800
2-[2-(chloromethyl)-2-methylpentyl]thiophene
CID 66035583

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(thiophen-2-ylmethyl)hexan-1-amine?
The IUPAC name of 2-ethyl-2-(thiophen-2-ylmethyl)hexan-1-amine (CID 62725494) is 2-ethyl-2-(thiophen-2-ylmethyl)hexan-1-amine.
What is the SMILES notation for 2-ethyl-2-(thiophen-2-ylmethyl)hexan-1-amine?
The canonical SMILES for 2-ethyl-2-(thiophen-2-ylmethyl)hexan-1-amine is CCCCC(CC)(CN)Cc1cccs1.
What is the InChIKey of 2-ethyl-2-(thiophen-2-ylmethyl)hexan-1-amine?
The InChIKey is SRMNPRFGNWCHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-3-5-8-13(4-2,11-14)10-12-7-6-9-15-12/h6-7,9H,3-5,8,10-11,14H2,1-2H3.
What are the key properties of 2-ethyl-2-(thiophen-2-ylmethyl)hexan-1-amine?
2-ethyl-2-(thiophen-2-ylmethyl)hexan-1-amine has a molecular weight of 225.40 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(thiophen-2-ylmethyl)hexan-1-amine is sourced from PubChem (CID 62725494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).