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

C12H23NO — CID 102649059

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N,3-dimethylpentan-1-amine
SMILESCCC(C)CC(NC)C1=CCCCO1
InChIInChI=1S/C12H23NO/c1-4-10(2)9-11(13-3)12-7-5-6-8-14-12/h7,10-11,13H,4-6,8-9H2,1-3H3
InChIKeyMTZUNFPOBJXDLK-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.70
Rot. Bonds5

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

1-(3,4-dihydro-2H-pyran-6-yl)-N,3-dimethylpentan-1-amine (PubChem CID 102649059) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-N,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N,3-dimethylpentan-1-amine
PubChem CID102649059
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N,3-dimethylpentan-1-amine
SMILESCCC(C)CC(NC)C1=CCCCO1
InChIInChI=1S/C12H23NO/c1-4-10(2)9-11(13-3)12-7-5-6-8-14-12/h7,10-11,13H,4-6,8-9H2,1-3H3
InChIKeyMTZUNFPOBJXDLK-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(Fluoromethoxy)-2-(3-methylbut-3-en-2-yl)-1,2,3,6-tetrahydropyridine
CID 90736308
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 102649506
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 102649615
N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102649634
1-(4,4-difluorocyclohexyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102652898
N-[(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 102653779
N-[(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653789
1-(4,4-difluorocyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 113720496
N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
CID 113720622
1-(3,3-difluorocyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 114215980
N-[(3,3-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 114216076
N-[(3-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]pentan-1-amine
CID 90981708

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N,3-dimethylpentan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N,3-dimethylpentan-1-amine (CID 102649059) is 1-(3,4-dihydro-2H-pyran-6-yl)-N,3-dimethylpentan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N,3-dimethylpentan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N,3-dimethylpentan-1-amine is CCC(C)CC(NC)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N,3-dimethylpentan-1-amine?
The InChIKey is MTZUNFPOBJXDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-10(2)9-11(13-3)12-7-5-6-8-14-12/h7,10-11,13H,4-6,8-9H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N,3-dimethylpentan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-N,3-dimethylpentan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.70, 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-6-yl)-N,3-dimethylpentan-1-amine is sourced from PubChem (CID 102649059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).