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

C15H29NO — CID 114211849

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-4,4-dimethyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)C)C1=CCCCO1
InChIInChI=1S/C15H29NO/c1-5-11-16-13(9-10-15(2,3)4)14-8-6-7-12-17-14/h8,13,16H,5-7,9-12H2,1-4H3
InChIKeySPXSHVOTBGYFDI-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.88
Rot. Bonds6

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

1-(3,4-dihydro-2H-pyran-6-yl)-4,4-dimethyl-N-propylpentan-1-amine (PubChem CID 114211849) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-4,4-dimethyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-4,4-dimethyl-N-propylpentan-1-amine
PubChem CID114211849
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-4,4-dimethyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)C)C1=CCCCO1
InChIInChI=1S/C15H29NO/c1-5-11-16-13(9-10-15(2,3)4)14-8-6-7-12-17-14/h8,13,16H,5-7,9-12H2,1-4H3
InChIKeySPXSHVOTBGYFDI-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-4,4-dimethyl-N-propylpentan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-4,4-dimethyl-N-propylpentan-1-amine (CID 114211849) is 1-(3,4-dihydro-2H-pyran-6-yl)-4,4-dimethyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-4,4-dimethyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-4,4-dimethyl-N-propylpentan-1-amine is CCCNC(CCC(C)(C)C)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-4,4-dimethyl-N-propylpentan-1-amine?
The InChIKey is SPXSHVOTBGYFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-5-11-16-13(9-10-15(2,3)4)14-8-6-7-12-17-14/h8,13,16H,5-7,9-12H2,1-4H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-4,4-dimethyl-N-propylpentan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-4,4-dimethyl-N-propylpentan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.88, 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)-4,4-dimethyl-N-propylpentan-1-amine is sourced from PubChem (CID 114211849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).