2,6-dimethyl-N-(thiophen-3-ylmethyl)heptan-4-amine

C14H25NS — CID 63248200

IUPAC2,6-dimethyl-N-(thiophen-3-ylmethyl)heptan-4-amine
SMILESCC(C)CC(CC(C)C)NCc1ccsc1
InChIInChI=1S/C14H25NS/c1-11(2)7-14(8-12(3)4)15-9-13-5-6-16-10-13/h5-6,10-12,14-15H,7-9H2,1-4H3
InChIKeyWHAAWJKYXWILMB-UHFFFAOYSA-N
MW239.43 g/mol
LogP4.30
Rot. Bonds7

About 2,6-dimethyl-N-(thiophen-3-ylmethyl)heptan-4-amine

2,6-dimethyl-N-(thiophen-3-ylmethyl)heptan-4-amine (PubChem CID 63248200) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is 2,6-dimethyl-N-(thiophen-3-ylmethyl)heptan-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-(thiophen-3-ylmethyl)heptan-4-amine
PubChem CID63248200
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name2,6-dimethyl-N-(thiophen-3-ylmethyl)heptan-4-amine
SMILESCC(C)CC(CC(C)C)NCc1ccsc1
InChIInChI=1S/C14H25NS/c1-11(2)7-14(8-12(3)4)15-9-13-5-6-16-10-13/h5-6,10-12,14-15H,7-9H2,1-4H3
InChIKeyWHAAWJKYXWILMB-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-N-(thiophen-3-ylmethyl)heptan-3-amine
CID 63247789
2-(thiophen-3-ylmethylamino)propane-1,3-diol
CID 65312761
1-chloro-N-(thiophen-3-ylmethyl)propan-2-amine
CID 65025507
N-(thiophen-3-ylmethyl)heptan-3-amine
CID 63946949
(2R)-2-(thiophen-3-ylmethylamino)propanoic acid
CID 51883451
2-amino-4-methyl-N-(thiophen-3-ylmethyl)pentanamide
CID 63246547
1-cyclopentyl-N-(thiophen-3-ylmethyl)ethanamine
CID 63247754
(2R)-4-phenyl-N-(thiophen-3-ylmethyl)butan-2-amine
CID 28667748
3-methyl-N-(thiophen-3-ylmethyl)hex-5-en-2-amine
CID 115709542
4-methyl-1-(2-thiophen-3-ylethylamino)pentan-2-ol
CID 107152319
1-[2-(thiophen-3-ylmethylamino)ethylamino]propan-2-ol
CID 4723865
N-propan-2-yl-3-(thiophen-3-ylmethylamino)butanamide
CID 115655788

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(thiophen-3-ylmethyl)heptan-4-amine?
The IUPAC name of 2,6-dimethyl-N-(thiophen-3-ylmethyl)heptan-4-amine (CID 63248200) is 2,6-dimethyl-N-(thiophen-3-ylmethyl)heptan-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-(thiophen-3-ylmethyl)heptan-4-amine?
The canonical SMILES for 2,6-dimethyl-N-(thiophen-3-ylmethyl)heptan-4-amine is CC(C)CC(CC(C)C)NCc1ccsc1.
What is the InChIKey of 2,6-dimethyl-N-(thiophen-3-ylmethyl)heptan-4-amine?
The InChIKey is WHAAWJKYXWILMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-11(2)7-14(8-12(3)4)15-9-13-5-6-16-10-13/h5-6,10-12,14-15H,7-9H2,1-4H3.
What are the key properties of 2,6-dimethyl-N-(thiophen-3-ylmethyl)heptan-4-amine?
2,6-dimethyl-N-(thiophen-3-ylmethyl)heptan-4-amine has a molecular weight of 239.43 g/mol, XLogP of 4.30, 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-(thiophen-3-ylmethyl)heptan-4-amine is sourced from PubChem (CID 63248200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).