2,6-dimethyl-N-(1-thiophen-2-ylethyl)heptan-4-amine

C15H27NS — CID 43104723

IUPAC2,6-dimethyl-N-(1-thiophen-2-ylethyl)heptan-4-amine
SMILESCC(C)CC(CC(C)C)NC(C)c1cccs1
InChIInChI=1S/C15H27NS/c1-11(2)9-14(10-12(3)4)16-13(5)15-7-6-8-17-15/h6-8,11-14,16H,9-10H2,1-5H3
InChIKeyNIVVWRDXHNRIAS-UHFFFAOYSA-N
MW253.45 g/mol
LogP4.86
Rot. Bonds7

About 2,6-dimethyl-N-(1-thiophen-2-ylethyl)heptan-4-amine

2,6-dimethyl-N-(1-thiophen-2-ylethyl)heptan-4-amine (PubChem CID 43104723) has the molecular formula C15H27NS and a molecular weight of 253.45 g/mol. Its IUPAC name is 2,6-dimethyl-N-(1-thiophen-2-ylethyl)heptan-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-(1-thiophen-2-ylethyl)heptan-4-amine
PubChem CID43104723
Molecular FormulaC15H27NS
Molecular Weight253.45 g/mol
Exact Mass253.19
IUPAC Name2,6-dimethyl-N-(1-thiophen-2-ylethyl)heptan-4-amine
SMILESCC(C)CC(CC(C)C)NC(C)c1cccs1
InChIInChI=1S/C15H27NS/c1-11(2)9-14(10-12(3)4)16-13(5)15-7-6-8-17-15/h6-8,11-14,16H,9-10H2,1-5H3
InChIKeyNIVVWRDXHNRIAS-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.45
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethyl-N-(1-thiophen-2-ylpropyl)heptan-4-amine
CID 63456212
2-(1-thiophen-2-ylethylamino)butan-1-ol
CID 43207104
1-(2-methylpropoxy)-N-(1-thiophen-2-ylethyl)propan-2-amine
CID 115889318
1-methoxy-N-[(1S)-1-thiophen-2-ylethyl]propan-2-amine
CID 81399226
N,4-dimethyl-2-(1-thiophen-2-ylethylamino)pentanamide
CID 43750667
1-cyclopropyl-N-[(1S)-1-thiophen-2-ylethyl]propan-2-amine
CID 104866462
4-methoxy-N-[(1S)-1-thiophen-2-ylethyl]butan-2-amine
CID 81398885
N-(3-methylbutyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide
CID 81409142
4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine
CID 83156028
2-(1-chloro-3-methylbutyl)thiophene
CID 61085151
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(1-thiophen-2-ylethyl)heptan-4-amine?
The IUPAC name of 2,6-dimethyl-N-(1-thiophen-2-ylethyl)heptan-4-amine (CID 43104723) is 2,6-dimethyl-N-(1-thiophen-2-ylethyl)heptan-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-(1-thiophen-2-ylethyl)heptan-4-amine?
The canonical SMILES for 2,6-dimethyl-N-(1-thiophen-2-ylethyl)heptan-4-amine is CC(C)CC(CC(C)C)NC(C)c1cccs1.
What is the InChIKey of 2,6-dimethyl-N-(1-thiophen-2-ylethyl)heptan-4-amine?
The InChIKey is NIVVWRDXHNRIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NS/c1-11(2)9-14(10-12(3)4)16-13(5)15-7-6-8-17-15/h6-8,11-14,16H,9-10H2,1-5H3.
What are the key properties of 2,6-dimethyl-N-(1-thiophen-2-ylethyl)heptan-4-amine?
2,6-dimethyl-N-(1-thiophen-2-ylethyl)heptan-4-amine has a molecular weight of 253.45 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(1-thiophen-2-ylethyl)heptan-4-amine is sourced from PubChem (CID 43104723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).