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

C12H23NO — CID 102647277

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)C)C1=CCCCO1
InChIInChI=1S/C12H23NO/c1-10(2)7-8-11(13-3)12-6-4-5-9-14-12/h6,10-11,13H,4-5,7-9H2,1-3H3
InChIKeyRZAKPJQXXRZRCS-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.70
Rot. Bonds5

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

1-(3,4-dihydro-2H-pyran-6-yl)-N,4-dimethylpentan-1-amine (PubChem CID 102647277) 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,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N,4-dimethylpentan-1-amine
PubChem CID102647277
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)C)C1=CCCCO1
InChIInChI=1S/C12H23NO/c1-10(2)7-8-11(13-3)12-6-4-5-9-14-12/h6,10-11,13H,4-5,7-9H2,1-3H3
InChIKeyRZAKPJQXXRZRCS-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

1-(4,4-difluorocyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 113720496
1-(3,3-difluorocyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 114215980
N-methyl-5,6-di(propan-2-yl)-3,4-dihydro-2H-pyran-4-amine
CID 90075883
N-[(3-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]pentan-1-amine
CID 90981708
3-[[(2-methyl-3,4-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine
CID 91112845
1-cyclohexa-2,4-dien-1-yl-3-ethoxy-N-methylbut-3-en-2-amine
CID 91280117
2-(4,6-Diamino-6-methylcyclohexen-1-yl)oxyethyl-trimethylazanium
CID 123530293
3-[(3,4-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine
CID 126745654
(4aR,5R)-5-methyl-6-propan-2-yl-3,4,4a,5-tetrahydro-2H-1,4-benzoxazine
CID 146948792
7-Propan-2-yl-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 169044766
8-Propan-2-yl-2-oxa-5-azaspiro[3.5]non-7-ene
CID 172354192
1-(3-methoxycyclohex-2-en-1-yl)-N-methylmethanamine
CID 12447981

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N,4-dimethylpentan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N,4-dimethylpentan-1-amine (CID 102647277) is 1-(3,4-dihydro-2H-pyran-6-yl)-N,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N,4-dimethylpentan-1-amine is CNC(CCC(C)C)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N,4-dimethylpentan-1-amine?
The InChIKey is RZAKPJQXXRZRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)7-8-11(13-3)12-6-4-5-9-14-12/h6,10-11,13H,4-5,7-9H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N,4-dimethylpentan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-N,4-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,4-dimethylpentan-1-amine is sourced from PubChem (CID 102647277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).