3-ethyl-N-(3-ethylpentan-3-yl)pentan-3-amine

C14H31N — CID 12618980

IUPAC3-ethyl-N-(3-ethylpentan-3-yl)pentan-3-amine
SMILESCCC(CC)(CC)NC(CC)(CC)CC
InChIInChI=1S/C14H31N/c1-7-13(8-2,9-3)15-14(10-4,11-5)12-6/h15H,7-12H2,1-6H3
InChIKeyAHLDQDLSWNSJFC-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.51
Rot. Bonds8

About 3-ethyl-N-(3-ethylpentan-3-yl)pentan-3-amine

3-ethyl-N-(3-ethylpentan-3-yl)pentan-3-amine (PubChem CID 12618980) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is 3-ethyl-N-(3-ethylpentan-3-yl)pentan-3-amine.

Molecular Properties

Compound Name3-ethyl-N-(3-ethylpentan-3-yl)pentan-3-amine
PubChem CID12618980
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name3-ethyl-N-(3-ethylpentan-3-yl)pentan-3-amine
SMILESCCC(CC)(CC)NC(CC)(CC)CC
InChIInChI=1S/C14H31N/c1-7-13(8-2,9-3)15-14(10-4,11-5)12-6/h15H,7-12H2,1-6H3
InChIKeyAHLDQDLSWNSJFC-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.51
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-ethylpentan-3-yl)pentan-3-amine?
The IUPAC name of 3-ethyl-N-(3-ethylpentan-3-yl)pentan-3-amine (CID 12618980) is 3-ethyl-N-(3-ethylpentan-3-yl)pentan-3-amine.
What is the SMILES notation for 3-ethyl-N-(3-ethylpentan-3-yl)pentan-3-amine?
The canonical SMILES for 3-ethyl-N-(3-ethylpentan-3-yl)pentan-3-amine is CCC(CC)(CC)NC(CC)(CC)CC.
What is the InChIKey of 3-ethyl-N-(3-ethylpentan-3-yl)pentan-3-amine?
The InChIKey is AHLDQDLSWNSJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-7-13(8-2,9-3)15-14(10-4,11-5)12-6/h15H,7-12H2,1-6H3.
What are the key properties of 3-ethyl-N-(3-ethylpentan-3-yl)pentan-3-amine?
3-ethyl-N-(3-ethylpentan-3-yl)pentan-3-amine has a molecular weight of 213.41 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-ethylpentan-3-yl)pentan-3-amine is sourced from PubChem (CID 12618980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).