2-octan-2-yloxy-N-propylpentan-1-amine

C16H35NO — CID 83046068

IUPAC2-octan-2-yloxy-N-propylpentan-1-amine
SMILESCCCCCCC(C)OC(CCC)CNCCC
InChIInChI=1S/C16H35NO/c1-5-8-9-10-12-15(4)18-16(11-6-2)14-17-13-7-3/h15-17H,5-14H2,1-4H3
InChIKeyAITIKIZYKMYCAT-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.53
Rot. Bonds13

About 2-octan-2-yloxy-N-propylpentan-1-amine

2-octan-2-yloxy-N-propylpentan-1-amine (PubChem CID 83046068) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 2-octan-2-yloxy-N-propylpentan-1-amine.

Molecular Properties

Compound Name2-octan-2-yloxy-N-propylpentan-1-amine
PubChem CID83046068
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name2-octan-2-yloxy-N-propylpentan-1-amine
SMILESCCCCCCC(C)OC(CCC)CNCCC
InChIInChI=1S/C16H35NO/c1-5-8-9-10-12-15(4)18-16(11-6-2)14-17-13-7-3/h15-17H,5-14H2,1-4H3
InChIKeyAITIKIZYKMYCAT-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.53
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

4-octan-2-yloxy-N-propylpentan-1-amine
CID 55078052
N,2-dipropyloctan-1-amine
CID 63497286
(2S)-1-N-propyldecane-1,2-diamine
CID 135223941
(2S)-2-butan-2-yl-N-propylheptan-1-amine
CID 164875858
1-(propylamino)hexadecan-2-ol
CID 88695975
2-propan-2-yl-N-propylheptan-1-amine
CID 63521498
4-icosan-4-yloxyicosane
CID 87313284
2-(1-methoxyethoxy)dodecane
CID 121368896
2,3-dimethyl-N-propylheptan-1-amine
CID 81015380
triethyl-[2-hexadecan-2-yloxy-3-(triethylazaniumyl)propyl]azanium dichloride
CID 87295587
4-hexadecan-5-yloxyhexadecane
CID 57069400
2-heptan-2-yloxy-3-(1-heptan-2-yloxyethyl)tetradecane
CID 142533221

Frequently Asked Questions

What is the IUPAC name of 2-octan-2-yloxy-N-propylpentan-1-amine?
The IUPAC name of 2-octan-2-yloxy-N-propylpentan-1-amine (CID 83046068) is 2-octan-2-yloxy-N-propylpentan-1-amine.
What is the SMILES notation for 2-octan-2-yloxy-N-propylpentan-1-amine?
The canonical SMILES for 2-octan-2-yloxy-N-propylpentan-1-amine is CCCCCCC(C)OC(CCC)CNCCC.
What is the InChIKey of 2-octan-2-yloxy-N-propylpentan-1-amine?
The InChIKey is AITIKIZYKMYCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-5-8-9-10-12-15(4)18-16(11-6-2)14-17-13-7-3/h15-17H,5-14H2,1-4H3.
What are the key properties of 2-octan-2-yloxy-N-propylpentan-1-amine?
2-octan-2-yloxy-N-propylpentan-1-amine has a molecular weight of 257.46 g/mol, XLogP of 4.53, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octan-2-yloxy-N-propylpentan-1-amine is sourced from PubChem (CID 83046068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).