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

C13H25NO — CID 102648892

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)octan-1-amine
SMILESCCCCCCCC(N)C1=CCCCO1
InChIInChI=1S/C13H25NO/c1-2-3-4-5-6-9-12(14)13-10-7-8-11-15-13/h10,12H,2-9,11,14H2,1H3
InChIKeyVOBCAVXAWNBHNY-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.37
Rot. Bonds7

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

1-(3,4-dihydro-2H-pyran-6-yl)octan-1-amine (PubChem CID 102648892) 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)octan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)octan-1-amine
PubChem CID102648892
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)octan-1-amine
SMILESCCCCCCCC(N)C1=CCCCO1
InChIInChI=1S/C13H25NO/c1-2-3-4-5-6-9-12(14)13-10-7-8-11-15-13/h10,12H,2-9,11,14H2,1H3
InChIKeyVOBCAVXAWNBHNY-UHFFFAOYSA-N
XLogP3.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(3,4-dihydro-2H-pyran-6-yl)octan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Methoxy-1,2,3,4,5,8-hexahydronaphthalen-1-amine
CID 53775110
(2S)-1-[(9Z,12Z)-octadeca-9,12-dien-1-yloxy]undecan-2-amine
CID 56948153
(2S)-1-[(9Z,12Z)-octadeca-9,12-dienoxy]dodecan-2-amine
CID 56948154
(2R)-1-[(9Z,12Z)-octadeca-9,12-dienoxy]dodecan-2-amine
CID 56948272
(2S)-1-[(9Z,12Z)-octadeca-9,12-dienoxy]decan-2-amine
CID 56948273
(2S)-1-[(9Z,12Z)-octadeca-9,12-dienoxy]nonan-2-amine
CID 56948274
5-(Cyclohexen-1-yl)-3-methoxypentane-1,4-diamine
CID 67562607
1-Octadeca-9,12-dienoxydodecan-2-amine
CID 76471068
1-Octadeca-9,12-dienoxydecan-2-amine
CID 76471130
(12E,15E)-1-octoxyhenicosa-12,15-dien-2-amine
CID 87173663
(2S)-1-[(Z)-dodec-9-enoxy]undecan-2-amine
CID 87174213
(Z)-6-methoxyoct-6-ene-1,5-diamine
CID 88874149

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)octan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)octan-1-amine (CID 102648892) is 1-(3,4-dihydro-2H-pyran-6-yl)octan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)octan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)octan-1-amine is CCCCCCCC(N)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)octan-1-amine?
The InChIKey is VOBCAVXAWNBHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-3-4-5-6-9-12(14)13-10-7-8-11-15-13/h10,12H,2-9,11,14H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)octan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)octan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 3.37, 7 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)octan-1-amine is sourced from PubChem (CID 102648892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).