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

C17H33NO — CID 102648874

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)dodecan-1-amine
SMILESCCCCCCCCCCCC(N)C1=CCCCO1
InChIInChI=1S/C17H33NO/c1-2-3-4-5-6-7-8-9-10-13-16(18)17-14-11-12-15-19-17/h14,16H,2-13,15,18H2,1H3
InChIKeyQYQIFMFVLDUYGT-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.93
Rot. Bonds11

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

1-(3,4-dihydro-2H-pyran-6-yl)dodecan-1-amine (PubChem CID 102648874) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)dodecan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)dodecan-1-amine
PubChem CID102648874
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)dodecan-1-amine
SMILESCCCCCCCCCCCC(N)C1=CCCCO1
InChIInChI=1S/C17H33NO/c1-2-3-4-5-6-7-8-9-10-13-16(18)17-14-11-12-15-19-17/h14,16H,2-13,15,18H2,1H3
InChIKeyQYQIFMFVLDUYGT-UHFFFAOYSA-N
XLogP4.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(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
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
2-[(Z)-octadec-9-enoxy]heptadecan-1-amine
CID 88160489
(7Z,10Z,13Z,16Z)-1-methoxydocosa-7,10,13,16-tetraen-2-amine
CID 88317409
(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)dodecan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)dodecan-1-amine (CID 102648874) is 1-(3,4-dihydro-2H-pyran-6-yl)dodecan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)dodecan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)dodecan-1-amine is CCCCCCCCCCCC(N)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)dodecan-1-amine?
The InChIKey is QYQIFMFVLDUYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-2-3-4-5-6-7-8-9-10-13-16(18)17-14-11-12-15-19-17/h14,16H,2-13,15,18H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)dodecan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)dodecan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 4.93, 11 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)dodecan-1-amine is sourced from PubChem (CID 102648874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).