3-methylidene-1-(5-methyloxolan-3-yl)pentan-1-amine

C11H21NO — CID 105006259

IUPAC3-methylidene-1-(5-methyloxolan-3-yl)pentan-1-amine
SMILESC=C(CC)CC(N)C1COC(C)C1
InChIInChI=1S/C11H21NO/c1-4-8(2)5-11(12)10-6-9(3)13-7-10/h9-11H,2,4-7,12H2,1,3H3
InChIKeyLCRXLIQCIIELAN-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.10
Rot. Bonds4

About 3-methylidene-1-(5-methyloxolan-3-yl)pentan-1-amine

3-methylidene-1-(5-methyloxolan-3-yl)pentan-1-amine (PubChem CID 105006259) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-methylidene-1-(5-methyloxolan-3-yl)pentan-1-amine.

Molecular Properties

Compound Name3-methylidene-1-(5-methyloxolan-3-yl)pentan-1-amine
PubChem CID105006259
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-methylidene-1-(5-methyloxolan-3-yl)pentan-1-amine
SMILESC=C(CC)CC(N)C1COC(C)C1
InChIInChI=1S/C11H21NO/c1-4-8(2)5-11(12)10-6-9(3)13-7-10/h9-11H,2,4-7,12H2,1,3H3
InChIKeyLCRXLIQCIIELAN-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.10
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

3-(3-Ethoxybuta-1,3-dien-2-yl)octan-2-ylazanium
CID 135014867
6-(2-Prop-1-en-2-ylcyclopropyl)oxan-3-amine
CID 166750173
Cyclohepten-1-yl(oxolan-3-yl)methanamine
CID 62078202
Cyclopenten-1-yl(oxolan-3-yl)methanamine
CID 62078335
Cyclohexen-1-yl(oxolan-3-yl)methanamine
CID 62079372
Cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65156145
Cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65156793
N-methyl-1-(oxolan-3-yl)hex-5-en-1-amine
CID 65330081
1-(Oxolan-3-yl)hex-5-en-1-amine
CID 65330238
1-(Oxolan-3-yl)pent-4-en-1-amine
CID 65330407
3-Methylidene-1-(oxolan-3-yl)pentan-1-amine
CID 66037812
N-methyl-3-methylidene-1-(oxolan-3-yl)pentan-1-amine
CID 66037813

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-(5-methyloxolan-3-yl)pentan-1-amine?
The IUPAC name of 3-methylidene-1-(5-methyloxolan-3-yl)pentan-1-amine (CID 105006259) is 3-methylidene-1-(5-methyloxolan-3-yl)pentan-1-amine.
What is the SMILES notation for 3-methylidene-1-(5-methyloxolan-3-yl)pentan-1-amine?
The canonical SMILES for 3-methylidene-1-(5-methyloxolan-3-yl)pentan-1-amine is C=C(CC)CC(N)C1COC(C)C1.
What is the InChIKey of 3-methylidene-1-(5-methyloxolan-3-yl)pentan-1-amine?
The InChIKey is LCRXLIQCIIELAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-8(2)5-11(12)10-6-9(3)13-7-10/h9-11H,2,4-7,12H2,1,3H3.
What are the key properties of 3-methylidene-1-(5-methyloxolan-3-yl)pentan-1-amine?
3-methylidene-1-(5-methyloxolan-3-yl)pentan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-(5-methyloxolan-3-yl)pentan-1-amine is sourced from PubChem (CID 105006259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).