N-ethyl-N-[(2-methyl-2,3-dihydrothiophen-3-yl)methyl]ethanamine

C10H19NS — CID 57082603

IUPACN-ethyl-N-[(2-methyl-2,3-dihydrothiophen-3-yl)methyl]ethanamine
SMILESCCN(CC)CC1C=CSC1C
InChIInChI=1S/C10H19NS/c1-4-11(5-2)8-10-6-7-12-9(10)3/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyOSDJMVUOVCMECT-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.59
Rot. Bonds4

About N-ethyl-N-[(2-methyl-2,3-dihydrothiophen-3-yl)methyl]ethanamine

N-ethyl-N-[(2-methyl-2,3-dihydrothiophen-3-yl)methyl]ethanamine (PubChem CID 57082603) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is N-ethyl-N-[(2-methyl-2,3-dihydrothiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(2-methyl-2,3-dihydrothiophen-3-yl)methyl]ethanamine
PubChem CID57082603
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC NameN-ethyl-N-[(2-methyl-2,3-dihydrothiophen-3-yl)methyl]ethanamine
SMILESCCN(CC)CC1C=CSC1C
InChIInChI=1S/C10H19NS/c1-4-11(5-2)8-10-6-7-12-9(10)3/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyOSDJMVUOVCMECT-UHFFFAOYSA-N
XLogP2.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]ethanamine
CID 57000948
N,N-dimethyl-1-(2-methyl-3H-thiophen-2-yl)methanamine
CID 57002242
1-[(2-methyl-3H-thiophen-2-yl)methyl]pyrrolidine
CID 57070658
N,N-dimethyl-1-(2-propyl-3H-thiophen-2-yl)methanamine
CID 57124125
2-methyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-1-amine
CID 57186297
N,N-diethyl-2-methyl-3H-thiophen-2-amine
CID 57277605
5-pentyl-4,6,7,7a-tetrahydro-3aH-thieno[3,2-c]pyridine
CID 89811625
1,4-dimethyl-3-propylsulfanyl-3,4-dihydro-2H-pyridine
CID 123161019
N,N,2-trimethyl-3,3-bis(methylsulfanyl)pent-4-en-1-amine
CID 134295344
N-methyl-N-(3-methylbutyl)-4-methylsulfanylhexa-1,5-dien-2-amine
CID 169916691
N-methyl-N-propyl-2-(propylsulfanylmethyl)but-3-en-1-amine
CID 170317553
1-methyl-3-[(Z)-4-methylpent-1-enyl]sulfinylpyrrolidine
CID 172295409

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2-methyl-2,3-dihydrothiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(2-methyl-2,3-dihydrothiophen-3-yl)methyl]ethanamine (CID 57082603) is N-ethyl-N-[(2-methyl-2,3-dihydrothiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(2-methyl-2,3-dihydrothiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(2-methyl-2,3-dihydrothiophen-3-yl)methyl]ethanamine is CCN(CC)CC1C=CSC1C.
What is the InChIKey of N-ethyl-N-[(2-methyl-2,3-dihydrothiophen-3-yl)methyl]ethanamine?
The InChIKey is OSDJMVUOVCMECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-4-11(5-2)8-10-6-7-12-9(10)3/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of N-ethyl-N-[(2-methyl-2,3-dihydrothiophen-3-yl)methyl]ethanamine?
N-ethyl-N-[(2-methyl-2,3-dihydrothiophen-3-yl)methyl]ethanamine has a molecular weight of 185.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2-methyl-2,3-dihydrothiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 57082603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).