1-(3,4-dihydro-2H-pyran-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine

C14H28N2O — CID 113370610

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
SMILESCCC(CC)(C(NC)C1=COCCC1)N(C)C
InChIInChI=1S/C14H28N2O/c1-6-14(7-2,16(4)5)13(15-3)12-9-8-10-17-11-12/h11,13,15H,6-10H2,1-5H3
InChIKeyALHRZYFZWVMKPA-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.39
Rot. Bonds6

About 1-(3,4-dihydro-2H-pyran-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine

1-(3,4-dihydro-2H-pyran-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine (PubChem CID 113370610) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
PubChem CID113370610
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
SMILESCCC(CC)(C(NC)C1=COCCC1)N(C)C
InChIInChI=1S/C14H28N2O/c1-6-14(7-2,16(4)5)13(15-3)12-9-8-10-17-11-12/h11,13,15H,6-10H2,1-5H3
InChIKeyALHRZYFZWVMKPA-UHFFFAOYSA-N
XLogP2.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79058631
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine
CID 105033154
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyldodecan-1-amine
CID 105033323
2-ethyl-1-N,2-N,2-N-trimethyl-1-(4-methylphenyl)butane-1,2-diamine
CID 79061588
2-ethyl-1-(furan-3-yl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79062006
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105179436
1-(3,4-dihydro-2H-pyran-5-yl)-N,3,5,5-tetramethylhexan-1-amine
CID 105033473
3-cyclohexyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylpropan-1-amine
CID 105033095
2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine
CID 105033530
2-ethyl-1-(4-fluorophenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79062004
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103312262
2-ethyl-1-(2-ethylpyrazol-3-yl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79061729

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine (CID 113370610) is 1-(3,4-dihydro-2H-pyran-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine is CCC(CC)(C(NC)C1=COCCC1)N(C)C.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine?
The InChIKey is ALHRZYFZWVMKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-6-14(7-2,16(4)5)13(15-3)12-9-8-10-17-11-12/h11,13,15H,6-10H2,1-5H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine?
1-(3,4-dihydro-2H-pyran-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine has a molecular weight of 240.39 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine is sourced from PubChem (CID 113370610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).