N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylpropan-1-amine

C11H21NO — CID 62064594

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CNCC1CCC=CO1
InChIInChI=1S/C11H21NO/c1-11(2,3)9-12-8-10-6-4-5-7-13-10/h5,7,10,12H,4,6,8-9H2,1-3H3
InChIKeyCHDGUHOBZVSGNU-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.31
Rot. Bonds3

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylpropan-1-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylpropan-1-amine (PubChem CID 62064594) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylpropan-1-amine
PubChem CID62064594
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CNCC1CCC=CO1
InChIInChI=1S/C11H21NO/c1-11(2,3)9-12-8-10-6-4-5-7-13-10/h5,7,10,12H,4,6,8-9H2,1-3H3
InChIKeyCHDGUHOBZVSGNU-UHFFFAOYSA-N
XLogP2.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-Dihydro-2H-pyran-2-ylmethyl)-methyl-amine
CID 60136051
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroethanamine
CID 62064871
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,3,3-trifluoropropan-1-amine
CID 63226222
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63828549
(2,2-difluoroethyl)(3,4-dihydro-2H-pyran-2-ylmethyl)amine
CID 75481269
N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2-difluoroethanamine
CID 97300300
N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2-difluoroethanamine
CID 97300301
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,4,4-trifluorobutan-2-amine
CID 102613521
2-(2,2-difluoroethoxy)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine
CID 107095580
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,4,4-trifluorobutan-1-amine
CID 115516417
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5,5,5-trifluoropentan-1-amine
CID 115517329
1-[(2R)-3,4-dihydro-2H-pyran-2-yl]-N-methylmethanamine
CID 55299898

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylpropan-1-amine (CID 62064594) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylpropan-1-amine is CC(C)(C)CNCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylpropan-1-amine?
The InChIKey is CHDGUHOBZVSGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(2,3)9-12-8-10-6-4-5-7-13-10/h5,7,10,12H,4,6,8-9H2,1-3H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylpropan-1-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylpropan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 62064594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).