3-ethyl-N-(3-ethyl-2,2-dimethylpentan-3-yl)-2,2-dimethylpentan-3-amine

C18H39N — CID 87087007

IUPAC3-ethyl-N-(3-ethyl-2,2-dimethylpentan-3-yl)-2,2-dimethylpentan-3-amine
SMILESCCC(CC)(NC(CC)(CC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H39N/c1-11-17(12-2,15(5,6)7)19-18(13-3,14-4)16(8,9)10/h19H,11-14H2,1-10H3
InChIKeyRCIWPECYQQIQTF-UHFFFAOYSA-N
MW269.52 g/mol
LogP5.79
Rot. Bonds6

About 3-ethyl-N-(3-ethyl-2,2-dimethylpentan-3-yl)-2,2-dimethylpentan-3-amine

3-ethyl-N-(3-ethyl-2,2-dimethylpentan-3-yl)-2,2-dimethylpentan-3-amine (PubChem CID 87087007) has the molecular formula C18H39N and a molecular weight of 269.52 g/mol. Its IUPAC name is 3-ethyl-N-(3-ethyl-2,2-dimethylpentan-3-yl)-2,2-dimethylpentan-3-amine.

Molecular Properties

Compound Name3-ethyl-N-(3-ethyl-2,2-dimethylpentan-3-yl)-2,2-dimethylpentan-3-amine
PubChem CID87087007
Molecular FormulaC18H39N
Molecular Weight269.52 g/mol
Exact Mass269.31
IUPAC Name3-ethyl-N-(3-ethyl-2,2-dimethylpentan-3-yl)-2,2-dimethylpentan-3-amine
SMILESCCC(CC)(NC(CC)(CC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H39N/c1-11-17(12-2,15(5,6)7)19-18(13-3,14-4)16(8,9)10/h19H,11-14H2,1-10H3
InChIKeyRCIWPECYQQIQTF-UHFFFAOYSA-N
XLogP5.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-ethyl-2,2-dimethylpentan-3-yl)-2,2-dimethylpentan-3-amine?
The IUPAC name of 3-ethyl-N-(3-ethyl-2,2-dimethylpentan-3-yl)-2,2-dimethylpentan-3-amine (CID 87087007) is 3-ethyl-N-(3-ethyl-2,2-dimethylpentan-3-yl)-2,2-dimethylpentan-3-amine.
What is the SMILES notation for 3-ethyl-N-(3-ethyl-2,2-dimethylpentan-3-yl)-2,2-dimethylpentan-3-amine?
The canonical SMILES for 3-ethyl-N-(3-ethyl-2,2-dimethylpentan-3-yl)-2,2-dimethylpentan-3-amine is CCC(CC)(NC(CC)(CC)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 3-ethyl-N-(3-ethyl-2,2-dimethylpentan-3-yl)-2,2-dimethylpentan-3-amine?
The InChIKey is RCIWPECYQQIQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N/c1-11-17(12-2,15(5,6)7)19-18(13-3,14-4)16(8,9)10/h19H,11-14H2,1-10H3.
What are the key properties of 3-ethyl-N-(3-ethyl-2,2-dimethylpentan-3-yl)-2,2-dimethylpentan-3-amine?
3-ethyl-N-(3-ethyl-2,2-dimethylpentan-3-yl)-2,2-dimethylpentan-3-amine has a molecular weight of 269.52 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-ethyl-2,2-dimethylpentan-3-yl)-2,2-dimethylpentan-3-amine is sourced from PubChem (CID 87087007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).