2-ethyl-N,2-dimethyl-3-(2-methylpropoxy)-N-propan-2-ylhexan-1-amine

C17H37NO — CID 123671688

IUPAC2-ethyl-N,2-dimethyl-3-(2-methylpropoxy)-N-propan-2-ylhexan-1-amine
SMILESCCCC(OCC(C)C)C(C)(CC)CN(C)C(C)C
InChIInChI=1S/C17H37NO/c1-9-11-16(19-12-14(3)4)17(7,10-2)13-18(8)15(5)6/h14-16H,9-13H2,1-8H3
InChIKeyFRBMMVMWOVMANY-UHFFFAOYSA-N
MW271.49 g/mol
LogP4.58
Rot. Bonds10

About 2-ethyl-N,2-dimethyl-3-(2-methylpropoxy)-N-propan-2-ylhexan-1-amine

2-ethyl-N,2-dimethyl-3-(2-methylpropoxy)-N-propan-2-ylhexan-1-amine (PubChem CID 123671688) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is 2-ethyl-N,2-dimethyl-3-(2-methylpropoxy)-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N,2-dimethyl-3-(2-methylpropoxy)-N-propan-2-ylhexan-1-amine
PubChem CID123671688
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC Name2-ethyl-N,2-dimethyl-3-(2-methylpropoxy)-N-propan-2-ylhexan-1-amine
SMILESCCCC(OCC(C)C)C(C)(CC)CN(C)C(C)C
InChIInChI=1S/C17H37NO/c1-9-11-16(19-12-14(3)4)17(7,10-2)13-18(8)15(5)6/h14-16H,9-13H2,1-8H3
InChIKeyFRBMMVMWOVMANY-UHFFFAOYSA-N
XLogP4.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,2-dimethyl-3-(2-methylpropoxy)-N-propan-2-ylhexan-1-amine?
The IUPAC name of 2-ethyl-N,2-dimethyl-3-(2-methylpropoxy)-N-propan-2-ylhexan-1-amine (CID 123671688) is 2-ethyl-N,2-dimethyl-3-(2-methylpropoxy)-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 2-ethyl-N,2-dimethyl-3-(2-methylpropoxy)-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 2-ethyl-N,2-dimethyl-3-(2-methylpropoxy)-N-propan-2-ylhexan-1-amine is CCCC(OCC(C)C)C(C)(CC)CN(C)C(C)C.
What is the InChIKey of 2-ethyl-N,2-dimethyl-3-(2-methylpropoxy)-N-propan-2-ylhexan-1-amine?
The InChIKey is FRBMMVMWOVMANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO/c1-9-11-16(19-12-14(3)4)17(7,10-2)13-18(8)15(5)6/h14-16H,9-13H2,1-8H3.
What are the key properties of 2-ethyl-N,2-dimethyl-3-(2-methylpropoxy)-N-propan-2-ylhexan-1-amine?
2-ethyl-N,2-dimethyl-3-(2-methylpropoxy)-N-propan-2-ylhexan-1-amine has a molecular weight of 271.49 g/mol, XLogP of 4.58, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,2-dimethyl-3-(2-methylpropoxy)-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 123671688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).