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

C16H35NO — CID 55078052

IUPAC4-octan-2-yloxy-N-propylpentan-1-amine
SMILESCCCCCCC(C)OC(C)CCCNCCC
InChIInChI=1S/C16H35NO/c1-5-7-8-9-11-15(3)18-16(4)12-10-14-17-13-6-2/h15-17H,5-14H2,1-4H3
InChIKeyHINZBSHLOGJBRB-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.53
Rot. Bonds13

About 4-octan-2-yloxy-N-propylpentan-1-amine

4-octan-2-yloxy-N-propylpentan-1-amine (PubChem CID 55078052) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 4-octan-2-yloxy-N-propylpentan-1-amine.

Molecular Properties

Compound Name4-octan-2-yloxy-N-propylpentan-1-amine
PubChem CID55078052
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name4-octan-2-yloxy-N-propylpentan-1-amine
SMILESCCCCCCC(C)OC(C)CCCNCCC
InChIInChI=1S/C16H35NO/c1-5-7-8-9-11-15(3)18-16(4)12-10-14-17-13-6-2/h15-17H,5-14H2,1-4H3
InChIKeyHINZBSHLOGJBRB-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-(1-ethoxypropan-2-yloxy)-N-propylpentan-1-amine
CID 103490666
2-octan-2-yloxy-N-propylpentan-1-amine
CID 83046068
7-methyl-N-propyltridecan-1-amine
CID 123278261
4-ethoxy-N-propylpentan-1-amine
CID 62446191
4-methoxy-N-pentylpentan-1-amine
CID 70456658
N-(2-octan-2-yloxyethyl)pentan-1-amine
CID 55194379
N-propylhexadecan-1-amine
CID 18792182
N-(4-methylpentyl)tetradecan-1-amine
CID 143841581
N-butyl-4-hexyldocosan-1-amine
CID 172700029
N-(6-methylheptyl)octadecan-1-amine
CID 162253708
N-hexadecyl-18-methylnonadecan-1-amine
CID 158287107
(Z)-19-[(Z)-icos-11-en-2-yl]oxyicos-9-ene
CID 88819107

Frequently Asked Questions

What is the IUPAC name of 4-octan-2-yloxy-N-propylpentan-1-amine?
The IUPAC name of 4-octan-2-yloxy-N-propylpentan-1-amine (CID 55078052) is 4-octan-2-yloxy-N-propylpentan-1-amine.
What is the SMILES notation for 4-octan-2-yloxy-N-propylpentan-1-amine?
The canonical SMILES for 4-octan-2-yloxy-N-propylpentan-1-amine is CCCCCCC(C)OC(C)CCCNCCC.
What is the InChIKey of 4-octan-2-yloxy-N-propylpentan-1-amine?
The InChIKey is HINZBSHLOGJBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-5-7-8-9-11-15(3)18-16(4)12-10-14-17-13-6-2/h15-17H,5-14H2,1-4H3.
What are the key properties of 4-octan-2-yloxy-N-propylpentan-1-amine?
4-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 4-octan-2-yloxy-N-propylpentan-1-amine is sourced from PubChem (CID 55078052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).