2-[(hexan-2-ylamino)methyl]thiophen-3-amine

C11H20N2S — CID 66385998

IUPAC2-[(hexan-2-ylamino)methyl]thiophen-3-amine
SMILESCCCCC(C)NCc1sccc1N
InChIInChI=1S/C11H20N2S/c1-3-4-5-9(2)13-8-11-10(12)6-7-14-11/h6-7,9,13H,3-5,8,12H2,1-2H3
InChIKeyUDJQJJFNSVJBER-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.00
Rot. Bonds6

About 2-[(hexan-2-ylamino)methyl]thiophen-3-amine

2-[(hexan-2-ylamino)methyl]thiophen-3-amine (PubChem CID 66385998) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-[(hexan-2-ylamino)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(hexan-2-ylamino)methyl]thiophen-3-amine
PubChem CID66385998
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name2-[(hexan-2-ylamino)methyl]thiophen-3-amine
SMILESCCCCC(C)NCc1sccc1N
InChIInChI=1S/C11H20N2S/c1-3-4-5-9(2)13-8-11-10(12)6-7-14-11/h6-7,9,13H,3-5,8,12H2,1-2H3
InChIKeyUDJQJJFNSVJBER-UHFFFAOYSA-N
XLogP3.00
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[(3-aminothiophen-2-yl)methylamino]butyl]phenol
CID 66387165
2-[(3-methylbutan-2-ylamino)methyl]thiophen-3-amine
CID 66386521
tert-butyl N-[2-[(3-aminothiophen-2-yl)methylamino]hexyl]carbamate
CID 107256585
2-[(3-ethylpentan-3-ylamino)methyl]thiophen-3-amine
CID 66385813
2-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]thiophen-3-amine
CID 81360179
2-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]thiophen-3-amine
CID 81351915
2-[[1-(2,4-difluorophenyl)ethylamino]methyl]thiophen-3-amine
CID 66385737
1-N-[(3-aminothiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 66384977
2-[(4-butylanilino)methyl]thiophen-3-amine
CID 66387516
2-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]thiophen-3-amine
CID 81403332
4-[(heptan-2-ylamino)methyl]aniline
CID 61465619
2-[[(3-methyl-1-phenylbutyl)amino]methyl]thiophen-3-amine
CID 66385749

Frequently Asked Questions

What is the IUPAC name of 2-[(hexan-2-ylamino)methyl]thiophen-3-amine?
The IUPAC name of 2-[(hexan-2-ylamino)methyl]thiophen-3-amine (CID 66385998) is 2-[(hexan-2-ylamino)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[(hexan-2-ylamino)methyl]thiophen-3-amine?
The canonical SMILES for 2-[(hexan-2-ylamino)methyl]thiophen-3-amine is CCCCC(C)NCc1sccc1N.
What is the InChIKey of 2-[(hexan-2-ylamino)methyl]thiophen-3-amine?
The InChIKey is UDJQJJFNSVJBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-3-4-5-9(2)13-8-11-10(12)6-7-14-11/h6-7,9,13H,3-5,8,12H2,1-2H3.
What are the key properties of 2-[(hexan-2-ylamino)methyl]thiophen-3-amine?
2-[(hexan-2-ylamino)methyl]thiophen-3-amine has a molecular weight of 212.36 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(hexan-2-ylamino)methyl]thiophen-3-amine is sourced from PubChem (CID 66385998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).