6-propan-2-yloxy-N-prop-2-enylhexan-1-amine

C12H25NO — CID 88906861

IUPAC6-propan-2-yloxy-N-prop-2-enylhexan-1-amine
SMILESC=CCNCCCCCCOC(C)C
InChIInChI=1S/C12H25NO/c1-4-9-13-10-7-5-6-8-11-14-12(2)3/h4,12-13H,1,5-11H2,2-3H3
InChIKeyFMQUBIIHGRLAJD-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.75
Rot. Bonds10

About 6-propan-2-yloxy-N-prop-2-enylhexan-1-amine

6-propan-2-yloxy-N-prop-2-enylhexan-1-amine (PubChem CID 88906861) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 6-propan-2-yloxy-N-prop-2-enylhexan-1-amine.

Molecular Properties

Compound Name6-propan-2-yloxy-N-prop-2-enylhexan-1-amine
PubChem CID88906861
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name6-propan-2-yloxy-N-prop-2-enylhexan-1-amine
SMILESC=CCNCCCCCCOC(C)C
InChIInChI=1S/C12H25NO/c1-4-9-13-10-7-5-6-8-11-14-12(2)3/h4,12-13H,1,5-11H2,2-3H3
InChIKeyFMQUBIIHGRLAJD-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
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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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxy-N-prop-2-enylhexan-1-amine?
The IUPAC name of 6-propan-2-yloxy-N-prop-2-enylhexan-1-amine (CID 88906861) is 6-propan-2-yloxy-N-prop-2-enylhexan-1-amine.
What is the SMILES notation for 6-propan-2-yloxy-N-prop-2-enylhexan-1-amine?
The canonical SMILES for 6-propan-2-yloxy-N-prop-2-enylhexan-1-amine is C=CCNCCCCCCOC(C)C.
What is the InChIKey of 6-propan-2-yloxy-N-prop-2-enylhexan-1-amine?
The InChIKey is FMQUBIIHGRLAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-9-13-10-7-5-6-8-11-14-12(2)3/h4,12-13H,1,5-11H2,2-3H3.
What are the key properties of 6-propan-2-yloxy-N-prop-2-enylhexan-1-amine?
6-propan-2-yloxy-N-prop-2-enylhexan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.75, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxy-N-prop-2-enylhexan-1-amine is sourced from PubChem (CID 88906861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).