N-tert-butyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine

C14H27NO2 — CID 103074450

IUPACN-tert-butyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COCC1CCCCO1
InChIInChI=1S/C14H27NO2/c1-12(9-15-14(2,3)4)10-16-11-13-7-5-6-8-17-13/h13,15H,1,5-11H2,2-4H3
InChIKeyVIHNICOLXQMJQA-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.52
Rot. Bonds6

About N-tert-butyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine

N-tert-butyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine (PubChem CID 103074450) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-tert-butyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine
PubChem CID103074450
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-tert-butyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COCC1CCCCO1
InChIInChI=1S/C14H27NO2/c1-12(9-15-14(2,3)4)10-16-11-13-7-5-6-8-17-13/h13,15H,1,5-11H2,2-4H3
InChIKeyVIHNICOLXQMJQA-UHFFFAOYSA-N
XLogP2.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium trifluoro-[3-(oxan-2-ylmethoxy)prop-1-en-2-yl]boranuide
CID 106746629
N-tert-butyl-2-(cyclobutyloxymethyl)prop-2-en-1-amine
CID 103074726
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
N-(cyclopentylmethyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 62567695
1-(ethylamino)-2-methyl-3-(oxan-2-ylmethoxy)propan-2-ol
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2-[[(2R)-oxan-2-yl]methoxy]ethanol
CID 91298433
2-methyl-N-[[2-(oxan-2-ylmethoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62444899
2-methoxy-N-[2-(oxan-2-ylmethoxy)ethyl]ethanamine
CID 62570787
N-ethyl-2,2-dimethyl-3-(oxan-2-ylmethoxy)propan-1-amine
CID 79620046
2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane
CID 58879072
(2R)-2-methyl-2-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pentanoic acid
CID 97233797
(2S)-2-(prop-2-ynoxymethyl)oxane
CID 175331724

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine (CID 103074450) is N-tert-butyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine is C=C(CNC(C)(C)C)COCC1CCCCO1.
What is the InChIKey of N-tert-butyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine?
The InChIKey is VIHNICOLXQMJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-12(9-15-14(2,3)4)10-16-11-13-7-5-6-8-17-13/h13,15H,1,5-11H2,2-4H3.
What are the key properties of N-tert-butyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine?
N-tert-butyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine has a molecular weight of 241.37 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).