N-ethyl-1-(3-methyloxolan-2-yl)hex-5-en-1-amine

C13H25NO — CID 104986910

IUPACN-ethyl-1-(3-methyloxolan-2-yl)hex-5-en-1-amine
SMILESC=CCCCC(NCC)C1OCCC1C
InChIInChI=1S/C13H25NO/c1-4-6-7-8-12(14-5-2)13-11(3)9-10-15-13/h4,11-14H,1,5-10H2,2-3H3
InChIKeyYRVAVNAZZFHNNW-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.75
Rot. Bonds7

About N-ethyl-1-(3-methyloxolan-2-yl)hex-5-en-1-amine

N-ethyl-1-(3-methyloxolan-2-yl)hex-5-en-1-amine (PubChem CID 104986910) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-ethyl-1-(3-methyloxolan-2-yl)hex-5-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methyloxolan-2-yl)hex-5-en-1-amine
PubChem CID104986910
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-ethyl-1-(3-methyloxolan-2-yl)hex-5-en-1-amine
SMILESC=CCCCC(NCC)C1OCCC1C
InChIInChI=1S/C13H25NO/c1-4-6-7-8-12(14-5-2)13-11(3)9-10-15-13/h4,11-14H,1,5-10H2,2-3H3
InChIKeyYRVAVNAZZFHNNW-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-cyclopropyl-N-ethyl-1-(3-methyloxolan-2-yl)propan-1-amine
CID 104994998
N-ethyl-1-(3-methyloxolan-2-yl)-3-phenylpropan-1-amine
CID 115794047
1-(3-methyloxolan-2-yl)pentylhydrazine
CID 105293857
1-(4,4-difluorocyclohexyl)-N-ethylhex-5-en-1-amine
CID 105153076
1-(1,1-dioxothiolan-3-yl)-N-ethylhex-5-en-1-amine
CID 115336846
1-(2,2-dimethylcyclohexyl)-N-ethylhex-5-en-1-amine
CID 107189124
N-ethyl-2-(4-fluorophenyl)-1-(3-methyloxolan-2-yl)ethanamine
CID 115786402
2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyloxolan-2-yl)ethanamine
CID 105412613
N-ethyl-2-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine
CID 107893426
4-ethylsulfonyl-N-methyl-1-(3-methyloxolan-2-yl)butan-1-amine
CID 115865318
N-ethyl-1-(3-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011091
N-ethyl-1-(thiolan-3-yl)oct-7-en-1-amine
CID 107011890

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methyloxolan-2-yl)hex-5-en-1-amine?
The IUPAC name of N-ethyl-1-(3-methyloxolan-2-yl)hex-5-en-1-amine (CID 104986910) is N-ethyl-1-(3-methyloxolan-2-yl)hex-5-en-1-amine.
What is the SMILES notation for N-ethyl-1-(3-methyloxolan-2-yl)hex-5-en-1-amine?
The canonical SMILES for N-ethyl-1-(3-methyloxolan-2-yl)hex-5-en-1-amine is C=CCCCC(NCC)C1OCCC1C.
What is the InChIKey of N-ethyl-1-(3-methyloxolan-2-yl)hex-5-en-1-amine?
The InChIKey is YRVAVNAZZFHNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-6-7-8-12(14-5-2)13-11(3)9-10-15-13/h4,11-14H,1,5-10H2,2-3H3.
What are the key properties of N-ethyl-1-(3-methyloxolan-2-yl)hex-5-en-1-amine?
N-ethyl-1-(3-methyloxolan-2-yl)hex-5-en-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methyloxolan-2-yl)hex-5-en-1-amine is sourced from PubChem (CID 104986910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).