1-(oxan-2-yl)tridecan-1-amine

C18H37NO — CID 115846551

IUPAC1-(oxan-2-yl)tridecan-1-amine
SMILESCCCCCCCCCCCCC(N)C1CCCCO1
InChIInChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-14-17(19)18-15-12-13-16-20-18/h17-18H,2-16,19H2,1H3
InChIKeyVFXYGDAVLBVOFD-UHFFFAOYSA-N
MW283.50 g/mol
LogP5.19
Rot. Bonds12

About 1-(oxan-2-yl)tridecan-1-amine

1-(oxan-2-yl)tridecan-1-amine (PubChem CID 115846551) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 1-(oxan-2-yl)tridecan-1-amine.

Molecular Properties

Compound Name1-(oxan-2-yl)tridecan-1-amine
PubChem CID115846551
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name1-(oxan-2-yl)tridecan-1-amine
SMILESCCCCCCCCCCCCC(N)C1CCCCO1
InChIInChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-14-17(19)18-15-12-13-16-20-18/h17-18H,2-16,19H2,1H3
InChIKeyVFXYGDAVLBVOFD-UHFFFAOYSA-N
XLogP5.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.19
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

1-(oxan-2-yl)heptylhydrazine
CID 105293967
2-heptan-2-yloxane
CID 67835602
4-methylsulfonyl-1-(oxan-2-yl)butan-1-amine
CID 115820864
(1R)-1-[(2R)-oxolan-2-yl]tridecan-1-ol
CID 11086843
1-(oxolan-2-yl)heptan-1-ol
CID 65331076
1-(oxan-2-yl)nonan-3-amine
CID 115833397
1-(4-methylmorpholin-2-yl)heptan-1-amine
CID 79093223
N-methyl-1-(oxolan-2-yl)hexan-1-amine
CID 65331605
1-cycloheptylheptan-1-amine
CID 65399314
(2S)-2-[(1R)-1-iodohexyl]oxolane
CID 101448708
1,3-bis(oxan-2-yl)propan-1-amine
CID 173130870
(1S)-1-[(2R)-oxolan-2-yl]hexan-1-ol
CID 10997513

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)tridecan-1-amine?
The IUPAC name of 1-(oxan-2-yl)tridecan-1-amine (CID 115846551) is 1-(oxan-2-yl)tridecan-1-amine.
What is the SMILES notation for 1-(oxan-2-yl)tridecan-1-amine?
The canonical SMILES for 1-(oxan-2-yl)tridecan-1-amine is CCCCCCCCCCCCC(N)C1CCCCO1.
What is the InChIKey of 1-(oxan-2-yl)tridecan-1-amine?
The InChIKey is VFXYGDAVLBVOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-14-17(19)18-15-12-13-16-20-18/h17-18H,2-16,19H2,1H3.
What are the key properties of 1-(oxan-2-yl)tridecan-1-amine?
1-(oxan-2-yl)tridecan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 5.19, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)tridecan-1-amine is sourced from PubChem (CID 115846551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).