N-(2-but-3-enoxyethyl)-2,2-dimethyloxan-4-amine

C13H25NO2 — CID 106397284

IUPACN-(2-but-3-enoxyethyl)-2,2-dimethyloxan-4-amine
SMILESC=CCCOCCNC1CCOC(C)(C)C1
InChIInChI=1S/C13H25NO2/c1-4-5-8-15-10-7-14-12-6-9-16-13(2,3)11-12/h4,12,14H,1,5-11H2,2-3H3
InChIKeyCFJVVULFCHYERE-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.13
Rot. Bonds7

About N-(2-but-3-enoxyethyl)-2,2-dimethyloxan-4-amine

N-(2-but-3-enoxyethyl)-2,2-dimethyloxan-4-amine (PubChem CID 106397284) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-2,2-dimethyloxan-4-amine
PubChem CID106397284
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(2-but-3-enoxyethyl)-2,2-dimethyloxan-4-amine
SMILESC=CCCOCCNC1CCOC(C)(C)C1
InChIInChI=1S/C13H25NO2/c1-4-5-8-15-10-7-14-12-6-9-16-13(2,3)11-12/h4,12,14H,1,5-11H2,2-3H3
InChIKeyCFJVVULFCHYERE-UHFFFAOYSA-N
XLogP2.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hept-6-enyl-2,2-dimethyloxan-4-amine
CID 107007059
N-(2-but-3-enoxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 106397216
2,2-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxan-4-amine
CID 112589376
2,2-dimethyl-N-(3-methylbut-3-enyl)oxan-4-amine
CID 114472487
2,2-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine
CID 83033160
N-(2-but-3-enoxyethyl)cyclododecanamine
CID 106397131
N-(2-but-3-enoxyethyl)-4-ethylcyclohexan-1-amine
CID 103854437
N-(2-but-3-enoxyethyl)thian-4-amine
CID 115770559
N-(2-but-3-enoxyethyl)spiro[4.5]decan-8-amine
CID 106396988
1-[4-(2-but-3-enoxyethylamino)piperidin-1-yl]ethanone
CID 103854368
N-(2-butoxyethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895357
2,2-diethyl-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine
CID 103179364

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-2,2-dimethyloxan-4-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-2,2-dimethyloxan-4-amine (CID 106397284) is N-(2-but-3-enoxyethyl)-2,2-dimethyloxan-4-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-2,2-dimethyloxan-4-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-2,2-dimethyloxan-4-amine is C=CCCOCCNC1CCOC(C)(C)C1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-2,2-dimethyloxan-4-amine?
The InChIKey is CFJVVULFCHYERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-5-8-15-10-7-14-12-6-9-16-13(2,3)11-12/h4,12,14H,1,5-11H2,2-3H3.
What are the key properties of N-(2-but-3-enoxyethyl)-2,2-dimethyloxan-4-amine?
N-(2-but-3-enoxyethyl)-2,2-dimethyloxan-4-amine has a molecular weight of 227.35 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 106397284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).