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

C16H29NS — CID 63456212

IUPAC2,6-dimethyl-N-(1-thiophen-2-ylpropyl)heptan-4-amine
SMILESCCC(NC(CC(C)C)CC(C)C)c1cccs1
InChIInChI=1S/C16H29NS/c1-6-15(16-8-7-9-18-16)17-14(10-12(2)3)11-13(4)5/h7-9,12-15,17H,6,10-11H2,1-5H3
InChIKeyJBDPISRKHFKODW-UHFFFAOYSA-N
MW267.48 g/mol
LogP5.25
Rot. Bonds8

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

2,6-dimethyl-N-(1-thiophen-2-ylpropyl)heptan-4-amine (PubChem CID 63456212) has the molecular formula C16H29NS and a molecular weight of 267.48 g/mol. Its IUPAC name is 2,6-dimethyl-N-(1-thiophen-2-ylpropyl)heptan-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-(1-thiophen-2-ylpropyl)heptan-4-amine
PubChem CID63456212
Molecular FormulaC16H29NS
Molecular Weight267.48 g/mol
Exact Mass267.20
IUPAC Name2,6-dimethyl-N-(1-thiophen-2-ylpropyl)heptan-4-amine
SMILESCCC(NC(CC(C)C)CC(C)C)c1cccs1
InChIInChI=1S/C16H29NS/c1-6-15(16-8-7-9-18-16)17-14(10-12(2)3)11-13(4)5/h7-9,12-15,17H,6,10-11H2,1-5H3
InChIKeyJBDPISRKHFKODW-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.48
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethyl-N-(1-thiophen-2-ylethyl)heptan-4-amine
CID 43104723
1-(1-hydroxy-4-methylpentan-2-yl)-3-(1-thiophen-2-ylpropyl)urea
CID 75383509
1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea
CID 97233716
5-methyl-N-(1-thiophen-2-ylpropyl)hexan-1-amine
CID 115324978
N-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 54983030
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398812
(2S)-1-[(3-methyl-1-thiophen-2-ylbutyl)amino]propan-2-ol
CID 103906407
3-methyl-1-phenyl-N-(1-thiophen-2-ylbutyl)butan-1-amine
CID 63454459
1-(2-fluorophenyl)-N-(1-thiophen-2-ylpropyl)propan-1-amine
CID 112632384
2-phenyl-2-(1-thiophen-2-ylpropylamino)ethanol
CID 63182371
(3R)-3-[(3-methyl-1-thiophen-2-ylbutyl)amino]butan-1-ol
CID 103871621
tert-butyl N-[2-(1-thiophen-2-ylpropylamino)pentyl]carbamate
CID 107253496

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(1-thiophen-2-ylpropyl)heptan-4-amine?
The IUPAC name of 2,6-dimethyl-N-(1-thiophen-2-ylpropyl)heptan-4-amine (CID 63456212) is 2,6-dimethyl-N-(1-thiophen-2-ylpropyl)heptan-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-(1-thiophen-2-ylpropyl)heptan-4-amine?
The canonical SMILES for 2,6-dimethyl-N-(1-thiophen-2-ylpropyl)heptan-4-amine is CCC(NC(CC(C)C)CC(C)C)c1cccs1.
What is the InChIKey of 2,6-dimethyl-N-(1-thiophen-2-ylpropyl)heptan-4-amine?
The InChIKey is JBDPISRKHFKODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NS/c1-6-15(16-8-7-9-18-16)17-14(10-12(2)3)11-13(4)5/h7-9,12-15,17H,6,10-11H2,1-5H3.
What are the key properties of 2,6-dimethyl-N-(1-thiophen-2-ylpropyl)heptan-4-amine?
2,6-dimethyl-N-(1-thiophen-2-ylpropyl)heptan-4-amine has a molecular weight of 267.48 g/mol, XLogP of 5.25, 8 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-ylpropyl)heptan-4-amine is sourced from PubChem (CID 63456212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).