1-(3,4-dihydro-2H-pyran-5-yl)-N,3,5,5-tetramethylhexan-1-amine

C15H29NO — CID 105033473

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-N,3,5,5-tetramethylhexan-1-amine
SMILESCNC(CC(C)CC(C)(C)C)C1=COCCC1
InChIInChI=1S/C15H29NO/c1-12(10-15(2,3)4)9-14(16-5)13-7-6-8-17-11-13/h11-12,14,16H,6-10H2,1-5H3
InChIKeyUWFCFOSNBOUSCX-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.73
Rot. Bonds5

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

1-(3,4-dihydro-2H-pyran-5-yl)-N,3,5,5-tetramethylhexan-1-amine (PubChem CID 105033473) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-N,3,5,5-tetramethylhexan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-N,3,5,5-tetramethylhexan-1-amine
PubChem CID105033473
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-N,3,5,5-tetramethylhexan-1-amine
SMILESCNC(CC(C)CC(C)(C)C)C1=COCCC1
InChIInChI=1S/C15H29NO/c1-12(10-15(2,3)4)9-14(16-5)13-7-6-8-17-11-13/h11-12,14,16H,6-10H2,1-5H3
InChIKeyUWFCFOSNBOUSCX-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine
CID 105033530
3-cyclohexyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylpropan-1-amine
CID 105033095
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyldodecan-1-amine
CID 105033323
1-(3,4-dihydro-2H-pyran-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 113370560
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105179277
2-(4-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine
CID 105179377
1-(4-fluoro-3,5-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 65299631
1-(3,4-dihydro-2H-pyran-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 113370610
4-(3,4-dihydro-2H-pyran-5-yl)-2,6-dimethylheptan-4-ol
CID 114865258
1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxy-N-propylpentan-1-amine
CID 105179221
2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine
CID 116661734
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 102653222

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-N,3,5,5-tetramethylhexan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-N,3,5,5-tetramethylhexan-1-amine (CID 105033473) is 1-(3,4-dihydro-2H-pyran-5-yl)-N,3,5,5-tetramethylhexan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-N,3,5,5-tetramethylhexan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-N,3,5,5-tetramethylhexan-1-amine is CNC(CC(C)CC(C)(C)C)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-N,3,5,5-tetramethylhexan-1-amine?
The InChIKey is UWFCFOSNBOUSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12(10-15(2,3)4)9-14(16-5)13-7-6-8-17-11-13/h11-12,14,16H,6-10H2,1-5H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-N,3,5,5-tetramethylhexan-1-amine?
1-(3,4-dihydro-2H-pyran-5-yl)-N,3,5,5-tetramethylhexan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.73, 5 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-5-yl)-N,3,5,5-tetramethylhexan-1-amine is sourced from PubChem (CID 105033473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).