1-(3,4-dihydro-2H-pyran-6-yl)-3,5,5-trimethyl-N-propylhexan-1-amine

C17H33NO — CID 102649358

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-3,5,5-trimethyl-N-propylhexan-1-amine
SMILESCCCNC(CC(C)CC(C)(C)C)C1=CCCCO1
InChIInChI=1S/C17H33NO/c1-6-10-18-15(16-9-7-8-11-19-16)12-14(2)13-17(3,4)5/h9,14-15,18H,6-8,10-13H2,1-5H3
InChIKeyASNACRWARZJTAP-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.51
Rot. Bonds7

About 1-(3,4-dihydro-2H-pyran-6-yl)-3,5,5-trimethyl-N-propylhexan-1-amine

1-(3,4-dihydro-2H-pyran-6-yl)-3,5,5-trimethyl-N-propylhexan-1-amine (PubChem CID 102649358) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-3,5,5-trimethyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-3,5,5-trimethyl-N-propylhexan-1-amine
PubChem CID102649358
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-3,5,5-trimethyl-N-propylhexan-1-amine
SMILESCCCNC(CC(C)CC(C)(C)C)C1=CCCCO1
InChIInChI=1S/C17H33NO/c1-6-10-18-15(16-9-7-8-11-19-16)12-14(2)13-17(3,4)5/h9,14-15,18H,6-8,10-13H2,1-5H3
InChIKeyASNACRWARZJTAP-UHFFFAOYSA-N
XLogP4.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3,5,5-trimethyl-N-propylhexan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3,5,5-trimethyl-N-propylhexan-1-amine (CID 102649358) is 1-(3,4-dihydro-2H-pyran-6-yl)-3,5,5-trimethyl-N-propylhexan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-3,5,5-trimethyl-N-propylhexan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-3,5,5-trimethyl-N-propylhexan-1-amine is CCCNC(CC(C)CC(C)(C)C)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-3,5,5-trimethyl-N-propylhexan-1-amine?
The InChIKey is ASNACRWARZJTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-6-10-18-15(16-9-7-8-11-19-16)12-14(2)13-17(3,4)5/h9,14-15,18H,6-8,10-13H2,1-5H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-3,5,5-trimethyl-N-propylhexan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-3,5,5-trimethyl-N-propylhexan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-3,5,5-trimethyl-N-propylhexan-1-amine is sourced from PubChem (CID 102649358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).