N-ethyl-4-methyl-1-thiophen-2-ylpentan-1-amine

C12H21NS — CID 43490552

IUPACN-ethyl-4-methyl-1-thiophen-2-ylpentan-1-amine
SMILESCCNC(CCC(C)C)c1cccs1
InChIInChI=1S/C12H21NS/c1-4-13-11(8-7-10(2)3)12-6-5-9-14-12/h5-6,9-11,13H,4,7-8H2,1-3H3
InChIKeyNOMHKZXCJZXANR-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.83
Rot. Bonds6

About N-ethyl-4-methyl-1-thiophen-2-ylpentan-1-amine

N-ethyl-4-methyl-1-thiophen-2-ylpentan-1-amine (PubChem CID 43490552) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-thiophen-2-ylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-thiophen-2-ylpentan-1-amine
PubChem CID43490552
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC NameN-ethyl-4-methyl-1-thiophen-2-ylpentan-1-amine
SMILESCCNC(CCC(C)C)c1cccs1
InChIInChI=1S/C12H21NS/c1-4-13-11(8-7-10(2)3)12-6-5-9-14-12/h5-6,9-11,13H,4,7-8H2,1-3H3
InChIKeyNOMHKZXCJZXANR-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-thiophen-2-ylundecan-1-amine
CID 55186605
N,N',N'-triethyl-1-thiophen-2-ylpropane-1,3-diamine
CID 79087157
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
5-methyl-N-(1-thiophen-2-ylbutyl)hexan-2-amine
CID 63456390
5-methyl-N-(1-thiophen-2-ylpropyl)hexan-1-amine
CID 115324978
N-ethyl-2-phenyl-1-thiophen-2-ylethanamine;hydrochloride
CID 3061989
N-ethyl-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylethanamine
CID 55095629
N-ethyl-3-pyridin-3-yl-1-thiophen-2-ylpropan-1-amine
CID 105100649
(1R)-N-ethyl-2-(4-methylphenyl)-1-thiophen-2-ylethanamine
CID 92968196
N-ethyl-5-methyl-1-thiophen-2-ylhexan-2-amine
CID 61065868
N-(dithiophen-2-ylmethyl)-3-methylbutan-1-amine
CID 43760503
2-(3,5-dimethylphenyl)-N-ethyl-1-thiophen-2-ylethanamine
CID 54911205

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-thiophen-2-ylpentan-1-amine?
The IUPAC name of N-ethyl-4-methyl-1-thiophen-2-ylpentan-1-amine (CID 43490552) is N-ethyl-4-methyl-1-thiophen-2-ylpentan-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-thiophen-2-ylpentan-1-amine?
The canonical SMILES for N-ethyl-4-methyl-1-thiophen-2-ylpentan-1-amine is CCNC(CCC(C)C)c1cccs1.
What is the InChIKey of N-ethyl-4-methyl-1-thiophen-2-ylpentan-1-amine?
The InChIKey is NOMHKZXCJZXANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-4-13-11(8-7-10(2)3)12-6-5-9-14-12/h5-6,9-11,13H,4,7-8H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-1-thiophen-2-ylpentan-1-amine?
N-ethyl-4-methyl-1-thiophen-2-ylpentan-1-amine has a molecular weight of 211.37 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-thiophen-2-ylpentan-1-amine is sourced from PubChem (CID 43490552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).