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

C13H25NO — CID 102649311

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(N)C1=CCCCO1
InChIInChI=1S/C13H25NO/c1-3-7-11(8-4-2)13(14)12-9-5-6-10-15-12/h9,11,13H,3-8,10,14H2,1-2H3
InChIKeySLRIJXCPULOXSC-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.22
Rot. Bonds6

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

1-(3,4-dihydro-2H-pyran-6-yl)-2-propylpentan-1-amine (PubChem CID 102649311) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-propylpentan-1-amine
PubChem CID102649311
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(N)C1=CCCCO1
InChIInChI=1S/C13H25NO/c1-3-7-11(8-4-2)13(14)12-9-5-6-10-15-12/h9,11,13H,3-8,10,14H2,1-2H3
InChIKeySLRIJXCPULOXSC-UHFFFAOYSA-N
XLogP3.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102649150
(4,4-Difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methanamine
CID 102653305
(6S)-4-cyclopentyloxy-6-methylcyclohex-3-en-1-amine
CID 89153897
(1S,4S)-2,5-bis(2-ethylhexoxy)cyclohex-2-ene-1,4-diamine
CID 89794030
(E,4S)-2,5-bis(2-ethylhexoxy)hex-2-ene-1,4-diamine
CID 89794275
2-Butan-2-yloxy-1-cyclohexylprop-2-en-1-amine
CID 90874517
2-Methoxy-3-methyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-amine
CID 91088098
1-cyclohexa-2,4-dien-1-yl-3-ethoxy-N-methylbut-3-en-2-amine
CID 91280117
3-[(1S)-5-(2-propylpentoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine
CID 130373101
3-[5-(2-Ethylbutoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine
CID 130373189
3-[5-(2-Propylpentoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine
CID 130373211
cyclopentyl-(2,2-dimethyl-3H-furan-5-yl)methanamine
CID 142810465

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-propylpentan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-propylpentan-1-amine (CID 102649311) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-propylpentan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-propylpentan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-propylpentan-1-amine is CCCC(CCC)C(N)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-propylpentan-1-amine?
The InChIKey is SLRIJXCPULOXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-7-11(8-4-2)13(14)12-9-5-6-10-15-12/h9,11,13H,3-8,10,14H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-propylpentan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-propylpentan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 3.22, 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)-2-propylpentan-1-amine is sourced from PubChem (CID 102649311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).