4-methyl-N-[2-[2-[2-(4-methylpentan-2-ylamino)ethoxy]ethoxy]ethyl]pentan-2-amine

C18H40N2O2 — CID 86720847

IUPAC4-methyl-N-[2-[2-[2-(4-methylpentan-2-ylamino)ethoxy]ethoxy]ethyl]pentan-2-amine
SMILESCC(C)CC(C)NCCOCCOCCNC(C)CC(C)C
InChIInChI=1S/C18H40N2O2/c1-15(2)13-17(5)19-7-9-21-11-12-22-10-8-20-18(6)14-16(3)4/h15-20H,7-14H2,1-6H3
InChIKeyYBMANOOSFRVYLJ-UHFFFAOYSA-N
MW316.53 g/mol
LogP3.07
Rot. Bonds15

About 4-methyl-N-[2-[2-[2-(4-methylpentan-2-ylamino)ethoxy]ethoxy]ethyl]pentan-2-amine

4-methyl-N-[2-[2-[2-(4-methylpentan-2-ylamino)ethoxy]ethoxy]ethyl]pentan-2-amine (PubChem CID 86720847) has the molecular formula C18H40N2O2 and a molecular weight of 316.53 g/mol. Its IUPAC name is 4-methyl-N-[2-[2-[2-(4-methylpentan-2-ylamino)ethoxy]ethoxy]ethyl]pentan-2-amine.

Molecular Properties

Compound Name4-methyl-N-[2-[2-[2-(4-methylpentan-2-ylamino)ethoxy]ethoxy]ethyl]pentan-2-amine
PubChem CID86720847
Molecular FormulaC18H40N2O2
Molecular Weight316.53 g/mol
Exact Mass316.31
IUPAC Name4-methyl-N-[2-[2-[2-(4-methylpentan-2-ylamino)ethoxy]ethoxy]ethyl]pentan-2-amine
SMILESCC(C)CC(C)NCCOCCOCCNC(C)CC(C)C
InChIInChI=1S/C18H40N2O2/c1-15(2)13-17(5)19-7-9-21-11-12-22-10-8-20-18(6)14-16(3)4/h15-20H,7-14H2,1-6H3
InChIKeyYBMANOOSFRVYLJ-UHFFFAOYSA-N
XLogP3.07
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.53
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[2-[2-(4-methylpentan-2-ylamino)ethoxy]ethoxy]ethyl]pentan-2-amine?
The IUPAC name of 4-methyl-N-[2-[2-[2-(4-methylpentan-2-ylamino)ethoxy]ethoxy]ethyl]pentan-2-amine (CID 86720847) is 4-methyl-N-[2-[2-[2-(4-methylpentan-2-ylamino)ethoxy]ethoxy]ethyl]pentan-2-amine.
What is the SMILES notation for 4-methyl-N-[2-[2-[2-(4-methylpentan-2-ylamino)ethoxy]ethoxy]ethyl]pentan-2-amine?
The canonical SMILES for 4-methyl-N-[2-[2-[2-(4-methylpentan-2-ylamino)ethoxy]ethoxy]ethyl]pentan-2-amine is CC(C)CC(C)NCCOCCOCCNC(C)CC(C)C.
What is the InChIKey of 4-methyl-N-[2-[2-[2-(4-methylpentan-2-ylamino)ethoxy]ethoxy]ethyl]pentan-2-amine?
The InChIKey is YBMANOOSFRVYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2O2/c1-15(2)13-17(5)19-7-9-21-11-12-22-10-8-20-18(6)14-16(3)4/h15-20H,7-14H2,1-6H3.
What are the key properties of 4-methyl-N-[2-[2-[2-(4-methylpentan-2-ylamino)ethoxy]ethoxy]ethyl]pentan-2-amine?
4-methyl-N-[2-[2-[2-(4-methylpentan-2-ylamino)ethoxy]ethoxy]ethyl]pentan-2-amine has a molecular weight of 316.53 g/mol, XLogP of 3.07, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[2-[2-(4-methylpentan-2-ylamino)ethoxy]ethoxy]ethyl]pentan-2-amine is sourced from PubChem (CID 86720847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).