1-(oxan-2-yl)nonan-3-amine

C14H29NO — CID 115833397

IUPAC1-(oxan-2-yl)nonan-3-amine
SMILESCCCCCCC(N)CCC1CCCCO1
InChIInChI=1S/C14H29NO/c1-2-3-4-5-8-13(15)10-11-14-9-6-7-12-16-14/h13-14H,2-12,15H2,1H3
InChIKeyHEHJJNHBKCPMEV-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.63
Rot. Bonds8

About 1-(oxan-2-yl)nonan-3-amine

1-(oxan-2-yl)nonan-3-amine (PubChem CID 115833397) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-(oxan-2-yl)nonan-3-amine.

Molecular Properties

Compound Name1-(oxan-2-yl)nonan-3-amine
PubChem CID115833397
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-(oxan-2-yl)nonan-3-amine
SMILESCCCCCCC(N)CCC1CCCCO1
InChIInChI=1S/C14H29NO/c1-2-3-4-5-8-13(15)10-11-14-9-6-7-12-16-14/h13-14H,2-12,15H2,1H3
InChIKeyHEHJJNHBKCPMEV-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.63
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-(oxetan-2-yl)heptadecan-4-amine
CID 67766424
1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
6-methyl-1-(oxan-2-yl)heptan-3-amine
CID 115834272
6-ethoxy-1-(oxolan-2-yl)hexan-3-amine
CID 105156946
1-(oxolan-2-yl)pentan-3-amine
CID 62549637
6,6-dimethyl-1-(oxan-2-yl)heptan-3-amine
CID 115849890
5-methyl-1-(oxan-2-yl)hexan-3-amine
CID 115782296
1-cyclopentylundecan-3-amine
CID 115835660
2-tetradecyloxolane
CID 10683364
5-methylidene-1-(oxan-2-yl)heptan-3-amine
CID 105005878
1-(oxan-2-yl)tridecan-1-amine
CID 115846551
2-(14-hexylsulfanyltetradecyl)oxane
CID 23326746

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)nonan-3-amine?
The IUPAC name of 1-(oxan-2-yl)nonan-3-amine (CID 115833397) is 1-(oxan-2-yl)nonan-3-amine.
What is the SMILES notation for 1-(oxan-2-yl)nonan-3-amine?
The canonical SMILES for 1-(oxan-2-yl)nonan-3-amine is CCCCCCC(N)CCC1CCCCO1.
What is the InChIKey of 1-(oxan-2-yl)nonan-3-amine?
The InChIKey is HEHJJNHBKCPMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-2-3-4-5-8-13(15)10-11-14-9-6-7-12-16-14/h13-14H,2-12,15H2,1H3.
What are the key properties of 1-(oxan-2-yl)nonan-3-amine?
1-(oxan-2-yl)nonan-3-amine has a molecular weight of 227.39 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)nonan-3-amine is sourced from PubChem (CID 115833397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).