N-ethyl-4-(2,2,3-trimethylpentan-3-yl)oxan-4-amine

C15H31NO — CID 154952971

IUPACN-ethyl-4-(2,2,3-trimethylpentan-3-yl)oxan-4-amine
SMILESCCNC1(C(C)(CC)C(C)(C)C)CCOCC1
InChIInChI=1S/C15H31NO/c1-7-14(6,13(3,4)5)15(16-8-2)9-11-17-12-10-15/h16H,7-12H2,1-6H3
InChIKeyQRKFJRKSJNRFMC-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.61
Rot. Bonds4

About N-ethyl-4-(2,2,3-trimethylpentan-3-yl)oxan-4-amine

N-ethyl-4-(2,2,3-trimethylpentan-3-yl)oxan-4-amine (PubChem CID 154952971) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-ethyl-4-(2,2,3-trimethylpentan-3-yl)oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-4-(2,2,3-trimethylpentan-3-yl)oxan-4-amine
PubChem CID154952971
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-ethyl-4-(2,2,3-trimethylpentan-3-yl)oxan-4-amine
SMILESCCNC1(C(C)(CC)C(C)(C)C)CCOCC1
InChIInChI=1S/C15H31NO/c1-7-14(6,13(3,4)5)15(16-8-2)9-11-17-12-10-15/h16H,7-12H2,1-6H3
InChIKeyQRKFJRKSJNRFMC-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2,2,3-trimethylpentan-3-yl)oxan-4-amine?
The IUPAC name of N-ethyl-4-(2,2,3-trimethylpentan-3-yl)oxan-4-amine (CID 154952971) is N-ethyl-4-(2,2,3-trimethylpentan-3-yl)oxan-4-amine.
What is the SMILES notation for N-ethyl-4-(2,2,3-trimethylpentan-3-yl)oxan-4-amine?
The canonical SMILES for N-ethyl-4-(2,2,3-trimethylpentan-3-yl)oxan-4-amine is CCNC1(C(C)(CC)C(C)(C)C)CCOCC1.
What is the InChIKey of N-ethyl-4-(2,2,3-trimethylpentan-3-yl)oxan-4-amine?
The InChIKey is QRKFJRKSJNRFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-7-14(6,13(3,4)5)15(16-8-2)9-11-17-12-10-15/h16H,7-12H2,1-6H3.
What are the key properties of N-ethyl-4-(2,2,3-trimethylpentan-3-yl)oxan-4-amine?
N-ethyl-4-(2,2,3-trimethylpentan-3-yl)oxan-4-amine has a molecular weight of 241.42 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2,2,3-trimethylpentan-3-yl)oxan-4-amine is sourced from PubChem (CID 154952971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).