N-ethyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine

C13H25NO — CID 102640746

IUPACN-ethyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine
SMILESC=CC(C)(CNCC)CC1CCOCC1
InChIInChI=1S/C13H25NO/c1-4-13(3,11-14-5-2)10-12-6-8-15-9-7-12/h4,12,14H,1,5-11H2,2-3H3
InChIKeyLMAHHGPHLKMMIH-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.60
Rot. Bonds6

About N-ethyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine

N-ethyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine (PubChem CID 102640746) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-ethyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine
PubChem CID102640746
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-ethyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine
SMILESC=CC(C)(CNCC)CC1CCOCC1
InChIInChI=1S/C13H25NO/c1-4-13(3,11-14-5-2)10-12-6-8-15-9-7-12/h4,12,14H,1,5-11H2,2-3H3
InChIKeyLMAHHGPHLKMMIH-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,2,5,5-tetramethyloxan-4-yl)ethyl]but-3-en-1-amine
CID 146647486
2,2-dimethyl-N-(oxan-4-ylmethyl)but-3-en-1-amine
CID 169557764
3-[2-(4-Pentenyloxy)ethyl]piperidine hydrochloride
CID 53409504
3-(2-Pent-4-enoxyethyl)piperidine
CID 53409505
N-ethyl-2,2-dimethyl-3-(oxan-4-yl)propan-1-amine
CID 62723927
2,2-dimethyl-3-(oxan-4-yl)-N-propylpropan-1-amine
CID 62724738
2,2-dimethyl-N-(2-methylpropyl)-3-(oxan-4-yl)propan-1-amine
CID 62724955
3-(2-But-3-enoxyethyl)piperidine
CID 64313816
N-methyl-1-(oxan-4-yl)but-3-en-1-amine
CID 65334438
N-ethyl-1-(oxan-4-yl)but-3-en-1-amine
CID 65334551
1-(oxan-4-yl)-N-propylbut-3-en-1-amine
CID 65334664
(3S)-3-(2-pent-4-enoxyethyl)piperidine
CID 86320710

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine?
The IUPAC name of N-ethyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine (CID 102640746) is N-ethyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine?
The canonical SMILES for N-ethyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine is C=CC(C)(CNCC)CC1CCOCC1.
What is the InChIKey of N-ethyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine?
The InChIKey is LMAHHGPHLKMMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-13(3,11-14-5-2)10-12-6-8-15-9-7-12/h4,12,14H,1,5-11H2,2-3H3.
What are the key properties of N-ethyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine?
N-ethyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine is sourced from PubChem (CID 102640746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).