1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylhexan-1-amine

C13H25NO — CID 102648771

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylhexan-1-amine
SMILESCCCCC(CC)C(N)C1=CCCCO1
InChIInChI=1S/C13H25NO/c1-3-5-8-11(4-2)13(14)12-9-6-7-10-15-12/h9,11,13H,3-8,10,14H2,1-2H3
InChIKeyFYSGYXLVRMAZDT-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.22
Rot. Bonds6

About 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylhexan-1-amine

1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylhexan-1-amine (PubChem CID 102648771) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylhexan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylhexan-1-amine
PubChem CID102648771
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylhexan-1-amine
SMILESCCCCC(CC)C(N)C1=CCCCO1
InChIInChI=1S/C13H25NO/c1-3-5-8-11(4-2)13(14)12-9-6-7-10-15-12/h9,11,13H,3-8,10,14H2,1-2H3
InChIKeyFYSGYXLVRMAZDT-UHFFFAOYSA-N
XLogP3.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102649150
3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 102649495
(4,4-Difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methanamine
CID 102653305
3,4-dihydro-2H-pyran-6-yl-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 113720576
(E,4S)-2,5-bis(2-ethylhexoxy)hex-2-ene-1,4-diamine
CID 89794275
2-Butan-2-yloxy-1-cyclohexylprop-2-en-1-amine
CID 90874517
2-Methoxy-3-methyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-amine
CID 91088098
2-(3-Ethyl-6-methylcyclohepten-1-yl)oxyethanamine
CID 138526720
(3S)-3-(4-methoxycyclohexa-1,3-dien-1-yl)butan-2-amine
CID 142052797
cyclopentyl-(2,2-dimethyl-3H-furan-5-yl)methanamine
CID 142810465
(Z)-4-methoxytridec-3-en-5-amine
CID 143745204
1-Butoxy-3-cyclohexa-2,4-dien-1-ylpropan-2-amine
CID 144158382

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylhexan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylhexan-1-amine (CID 102648771) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylhexan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylhexan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylhexan-1-amine is CCCCC(CC)C(N)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylhexan-1-amine?
The InChIKey is FYSGYXLVRMAZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-5-8-11(4-2)13(14)12-9-6-7-10-15-12/h9,11,13H,3-8,10,14H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylhexan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylhexan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 3.22, 6 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)-2-ethylhexan-1-amine is sourced from PubChem (CID 102648771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).