1-(oxolan-3-yl)hept-6-en-2-amine

C11H21NO — CID 103986762

IUPAC1-(oxolan-3-yl)hept-6-en-2-amine
SMILESC=CCCCC(N)CC1CCOC1
InChIInChI=1S/C11H21NO/c1-2-3-4-5-11(12)8-10-6-7-13-9-10/h2,10-11H,1,3-9,12H2
InChIKeyQNFQNUCFRBKLCZ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.10
Rot. Bonds6

About 1-(oxolan-3-yl)hept-6-en-2-amine

1-(oxolan-3-yl)hept-6-en-2-amine (PubChem CID 103986762) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(oxolan-3-yl)hept-6-en-2-amine.

Molecular Properties

Compound Name1-(oxolan-3-yl)hept-6-en-2-amine
PubChem CID103986762
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(oxolan-3-yl)hept-6-en-2-amine
SMILESC=CCCCC(N)CC1CCOC1
InChIInChI=1S/C11H21NO/c1-2-3-4-5-11(12)8-10-6-7-13-9-10/h2,10-11H,1,3-9,12H2
InChIKeyQNFQNUCFRBKLCZ-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)hept-6-en-2-amine?
The IUPAC name of 1-(oxolan-3-yl)hept-6-en-2-amine (CID 103986762) is 1-(oxolan-3-yl)hept-6-en-2-amine.
What is the SMILES notation for 1-(oxolan-3-yl)hept-6-en-2-amine?
The canonical SMILES for 1-(oxolan-3-yl)hept-6-en-2-amine is C=CCCCC(N)CC1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)hept-6-en-2-amine?
The InChIKey is QNFQNUCFRBKLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-3-4-5-11(12)8-10-6-7-13-9-10/h2,10-11H,1,3-9,12H2.
What are the key properties of 1-(oxolan-3-yl)hept-6-en-2-amine?
1-(oxolan-3-yl)hept-6-en-2-amine has a molecular weight of 183.29 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)hept-6-en-2-amine is sourced from PubChem (CID 103986762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).