5-methyl-1-(oxolan-2-yl)hex-5-en-3-amine

C11H21NO — CID 105004045

IUPAC5-methyl-1-(oxolan-2-yl)hex-5-en-3-amine
SMILESC=C(C)CC(N)CCC1CCCO1
InChIInChI=1S/C11H21NO/c1-9(2)8-10(12)5-6-11-4-3-7-13-11/h10-11H,1,3-8,12H2,2H3
InChIKeyAUYOIGMFOFJAPY-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.24
Rot. Bonds5

About 5-methyl-1-(oxolan-2-yl)hex-5-en-3-amine

5-methyl-1-(oxolan-2-yl)hex-5-en-3-amine (PubChem CID 105004045) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 5-methyl-1-(oxolan-2-yl)hex-5-en-3-amine.

Molecular Properties

Compound Name5-methyl-1-(oxolan-2-yl)hex-5-en-3-amine
PubChem CID105004045
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name5-methyl-1-(oxolan-2-yl)hex-5-en-3-amine
SMILESC=C(C)CC(N)CCC1CCCO1
InChIInChI=1S/C11H21NO/c1-9(2)8-10(12)5-6-11-4-3-7-13-11/h10-11H,1,3-8,12H2,2H3
InChIKeyAUYOIGMFOFJAPY-UHFFFAOYSA-N
XLogP2.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.24
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

1-[(2R)-oxolan-2-yl]hex-5-en-3-amine
CID 167351391
1-[(2S)-oxolan-2-yl]hex-5-en-3-amine
CID 167351449
1-(Oxolan-2-yl)pent-4-en-2-amine
CID 61380136
1-(Cyclopenten-1-yl)-3-(oxan-2-yl)propan-1-amine
CID 63953543
1-(Oxolan-2-yl)hept-6-en-2-amine
CID 64297839
1-(Oxolan-2-yl)hex-5-en-2-amine
CID 64297840
1-(Cyclopenten-1-yl)-2-(oxolan-2-yl)ethanamine
CID 65156098
1-(Cyclopenten-1-yl)-3-(oxolan-2-yl)propan-1-amine
CID 65156146
1-(Cyclohexen-1-yl)-2-(oxolan-2-yl)ethanamine
CID 65156745
1-(Cyclohexen-1-yl)-3-(oxolan-2-yl)propan-1-amine
CID 65156794
3-[2-(Oxolan-2-yl)ethyl]cyclohex-2-en-1-amine
CID 65171598
3-[3-(Oxolan-2-yl)propyl]cyclohex-2-en-1-amine
CID 65171754

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(oxolan-2-yl)hex-5-en-3-amine?
The IUPAC name of 5-methyl-1-(oxolan-2-yl)hex-5-en-3-amine (CID 105004045) is 5-methyl-1-(oxolan-2-yl)hex-5-en-3-amine.
What is the SMILES notation for 5-methyl-1-(oxolan-2-yl)hex-5-en-3-amine?
The canonical SMILES for 5-methyl-1-(oxolan-2-yl)hex-5-en-3-amine is C=C(C)CC(N)CCC1CCCO1.
What is the InChIKey of 5-methyl-1-(oxolan-2-yl)hex-5-en-3-amine?
The InChIKey is AUYOIGMFOFJAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)8-10(12)5-6-11-4-3-7-13-11/h10-11H,1,3-8,12H2,2H3.
What are the key properties of 5-methyl-1-(oxolan-2-yl)hex-5-en-3-amine?
5-methyl-1-(oxolan-2-yl)hex-5-en-3-amine has a molecular weight of 183.29 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(oxolan-2-yl)hex-5-en-3-amine is sourced from PubChem (CID 105004045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).