N-ethyl-2-methyl-5-(oxolan-2-yl)-2-propylpentan-1-amine

C15H31NO — CID 65165040

IUPACN-ethyl-2-methyl-5-(oxolan-2-yl)-2-propylpentan-1-amine
SMILESCCCC(C)(CCCC1CCCO1)CNCC
InChIInChI=1S/C15H31NO/c1-4-10-15(3,13-16-5-2)11-6-8-14-9-7-12-17-14/h14,16H,4-13H2,1-3H3
InChIKeyZEDSDTLSTZSVFZ-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds9

About N-ethyl-2-methyl-5-(oxolan-2-yl)-2-propylpentan-1-amine

N-ethyl-2-methyl-5-(oxolan-2-yl)-2-propylpentan-1-amine (PubChem CID 65165040) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-ethyl-2-methyl-5-(oxolan-2-yl)-2-propylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-5-(oxolan-2-yl)-2-propylpentan-1-amine
PubChem CID65165040
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-ethyl-2-methyl-5-(oxolan-2-yl)-2-propylpentan-1-amine
SMILESCCCC(C)(CCCC1CCCO1)CNCC
InChIInChI=1S/C15H31NO/c1-4-10-15(3,13-16-5-2)11-6-8-14-9-7-12-17-14/h14,16H,4-13H2,1-3H3
InChIKeyZEDSDTLSTZSVFZ-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-5-(oxolan-2-yl)-2-propylpentan-1-amine?
The IUPAC name of N-ethyl-2-methyl-5-(oxolan-2-yl)-2-propylpentan-1-amine (CID 65165040) is N-ethyl-2-methyl-5-(oxolan-2-yl)-2-propylpentan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-5-(oxolan-2-yl)-2-propylpentan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-5-(oxolan-2-yl)-2-propylpentan-1-amine is CCCC(C)(CCCC1CCCO1)CNCC.
What is the InChIKey of N-ethyl-2-methyl-5-(oxolan-2-yl)-2-propylpentan-1-amine?
The InChIKey is ZEDSDTLSTZSVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-10-15(3,13-16-5-2)11-6-8-14-9-7-12-17-14/h14,16H,4-13H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-5-(oxolan-2-yl)-2-propylpentan-1-amine?
N-ethyl-2-methyl-5-(oxolan-2-yl)-2-propylpentan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-5-(oxolan-2-yl)-2-propylpentan-1-amine is sourced from PubChem (CID 65165040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).