3-ethyl-N-propyl-1-thiophen-2-ylheptan-1-amine

C16H29NS — CID 63414646

IUPAC3-ethyl-N-propyl-1-thiophen-2-ylheptan-1-amine
SMILESCCCCC(CC)CC(NCCC)c1cccs1
InChIInChI=1S/C16H29NS/c1-4-7-9-14(6-3)13-15(17-11-5-2)16-10-8-12-18-16/h8,10,12,14-15,17H,4-7,9,11,13H2,1-3H3
InChIKeyGWGKECVPASLDOY-UHFFFAOYSA-N
MW267.48 g/mol
LogP5.40
Rot. Bonds10

About 3-ethyl-N-propyl-1-thiophen-2-ylheptan-1-amine

3-ethyl-N-propyl-1-thiophen-2-ylheptan-1-amine (PubChem CID 63414646) has the molecular formula C16H29NS and a molecular weight of 267.48 g/mol. Its IUPAC name is 3-ethyl-N-propyl-1-thiophen-2-ylheptan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-propyl-1-thiophen-2-ylheptan-1-amine
PubChem CID63414646
Molecular FormulaC16H29NS
Molecular Weight267.48 g/mol
Exact Mass267.20
IUPAC Name3-ethyl-N-propyl-1-thiophen-2-ylheptan-1-amine
SMILESCCCCC(CC)CC(NCCC)c1cccs1
InChIInChI=1S/C16H29NS/c1-4-7-9-14(6-3)13-15(17-11-5-2)16-10-8-12-18-16/h8,10,12,14-15,17H,4-7,9,11,13H2,1-3H3
InChIKeyGWGKECVPASLDOY-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.48
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(furan-2-yl)-N-propylheptan-1-amine
CID 63416317
N-propyl-1-thiophen-2-ylpent-4-yn-1-amine
CID 63657512
1-(2-bromophenyl)-3-ethyl-N-propylheptan-1-amine
CID 63415307
N-(1-thiophen-2-ylbutyl)decan-1-amine
CID 63491380
3-ethyl-1-(4-fluorophenyl)-N-propylheptan-1-amine
CID 63414460
3-phenyl-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 43495958
3-ethyl-1-(3-methoxyphenyl)-N-propylheptan-1-amine
CID 63414016
5-methyl-N-(1-thiophen-2-ylpropyl)hexan-1-amine
CID 115324978
N-[2-(2-chlorophenyl)-1-thiophen-2-ylethyl]propan-1-amine
CID 43495939
N-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine
CID 80695322
N-ethyl-1-thiophen-2-ylundecan-1-amine
CID 55186605
3-methylidene-N-propyl-1-thiophen-2-ylpentan-1-amine
CID 66046737

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-propyl-1-thiophen-2-ylheptan-1-amine?
The IUPAC name of 3-ethyl-N-propyl-1-thiophen-2-ylheptan-1-amine (CID 63414646) is 3-ethyl-N-propyl-1-thiophen-2-ylheptan-1-amine.
What is the SMILES notation for 3-ethyl-N-propyl-1-thiophen-2-ylheptan-1-amine?
The canonical SMILES for 3-ethyl-N-propyl-1-thiophen-2-ylheptan-1-amine is CCCCC(CC)CC(NCCC)c1cccs1.
What is the InChIKey of 3-ethyl-N-propyl-1-thiophen-2-ylheptan-1-amine?
The InChIKey is GWGKECVPASLDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NS/c1-4-7-9-14(6-3)13-15(17-11-5-2)16-10-8-12-18-16/h8,10,12,14-15,17H,4-7,9,11,13H2,1-3H3.
What are the key properties of 3-ethyl-N-propyl-1-thiophen-2-ylheptan-1-amine?
3-ethyl-N-propyl-1-thiophen-2-ylheptan-1-amine has a molecular weight of 267.48 g/mol, XLogP of 5.40, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-propyl-1-thiophen-2-ylheptan-1-amine is sourced from PubChem (CID 63414646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).