4-methylidene-1-(oxolan-2-yl)hexan-2-amine

C11H21NO — CID 66044104

IUPAC4-methylidene-1-(oxolan-2-yl)hexan-2-amine
SMILESC=C(CC)CC(N)CC1CCCO1
InChIInChI=1S/C11H21NO/c1-3-9(2)7-10(12)8-11-5-4-6-13-11/h10-11H,2-8,12H2,1H3
InChIKeyYWOBEJZLPKUSQU-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.24
Rot. Bonds5

About 4-methylidene-1-(oxolan-2-yl)hexan-2-amine

4-methylidene-1-(oxolan-2-yl)hexan-2-amine (PubChem CID 66044104) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-methylidene-1-(oxolan-2-yl)hexan-2-amine.

Molecular Properties

Compound Name4-methylidene-1-(oxolan-2-yl)hexan-2-amine
PubChem CID66044104
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-methylidene-1-(oxolan-2-yl)hexan-2-amine
SMILESC=C(CC)CC(N)CC1CCCO1
InChIInChI=1S/C11H21NO/c1-3-9(2)7-10(12)8-11-5-4-6-13-11/h10-11H,2-8,12H2,1H3
InChIKeyYWOBEJZLPKUSQU-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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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-1-(oxolan-2-yl)hexan-2-amine?
The IUPAC name of 4-methylidene-1-(oxolan-2-yl)hexan-2-amine (CID 66044104) is 4-methylidene-1-(oxolan-2-yl)hexan-2-amine.
What is the SMILES notation for 4-methylidene-1-(oxolan-2-yl)hexan-2-amine?
The canonical SMILES for 4-methylidene-1-(oxolan-2-yl)hexan-2-amine is C=C(CC)CC(N)CC1CCCO1.
What is the InChIKey of 4-methylidene-1-(oxolan-2-yl)hexan-2-amine?
The InChIKey is YWOBEJZLPKUSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-9(2)7-10(12)8-11-5-4-6-13-11/h10-11H,2-8,12H2,1H3.
What are the key properties of 4-methylidene-1-(oxolan-2-yl)hexan-2-amine?
4-methylidene-1-(oxolan-2-yl)hexan-2-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 4-methylidene-1-(oxolan-2-yl)hexan-2-amine is sourced from PubChem (CID 66044104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).