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

C9H17NO — CID 102647132

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-amine
SMILESCC(C)C(N)C1=CCCCO1
InChIInChI=1S/C9H17NO/c1-7(2)9(10)8-5-3-4-6-11-8/h5,7,9H,3-4,6,10H2,1-2H3
InChIKeyBEMPALMBBFLMDH-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.66
Rot. Bonds2

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

1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-amine (PubChem CID 102647132) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-amine
PubChem CID102647132
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-amine
SMILESCC(C)C(N)C1=CCCCO1
InChIInChI=1S/C9H17NO/c1-7(2)9(10)8-5-3-4-6-11-8/h5,7,9H,3-4,6,10H2,1-2H3
InChIKeyBEMPALMBBFLMDH-UHFFFAOYSA-N
XLogP1.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3H-phentolamine
CID 20028870
2-Butoxy-4-fluoro-6-methylcyclohexa-2,4-dien-1-amine
CID 68244552
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103312381
(Z)-4-ethoxy-1,1,1-trifluorohept-4-en-3-amine
CID 143076621
(3R)-6-(aminomethyl)-2-methyl-3,4-dihydro-2H-pyran-3-amine
CID 60076819
(4R,5Z)-5-methoxynona-1,5-dien-4-amine
CID 88260651
(1R)-1-(2,3-dimethyl-2,3-dihydrofuran-5-yl)-2-methylpropan-1-amine
CID 89017377
(1R)-2,2-dimethyl-1-(2-methyl-2,3-dihydrofuran-5-yl)propan-1-amine
CID 89017378
(1R)-1-(2-methyl-2,3-dihydrofuran-5-yl)propan-1-amine
CID 89017389
(1R)-2-methyl-1-(2-methyl-2,3-dihydrofuran-5-yl)propan-1-amine
CID 89017392
(3R)-4-methyl-2-(3-methylbut-2-en-2-yloxy)pent-1-en-3-amine
CID 89383877
(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-amine
CID 90448006

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-amine (CID 102647132) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-amine is CC(C)C(N)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-amine?
The InChIKey is BEMPALMBBFLMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)9(10)8-5-3-4-6-11-8/h5,7,9H,3-4,6,10H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.66, 2 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-methylpropan-1-amine is sourced from PubChem (CID 102647132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).