N-(2-methylpropyl)-4-octan-2-yloxypentan-1-amine

C17H37NO — CID 55078098

IUPACN-(2-methylpropyl)-4-octan-2-yloxypentan-1-amine
SMILESCCCCCCC(C)OC(C)CCCNCC(C)C
InChIInChI=1S/C17H37NO/c1-6-7-8-9-11-16(4)19-17(5)12-10-13-18-14-15(2)3/h15-18H,6-14H2,1-5H3
InChIKeyJTLUHDHJYRZLDU-UHFFFAOYSA-N
MW271.49 g/mol
LogP4.78
Rot. Bonds13

About N-(2-methylpropyl)-4-octan-2-yloxypentan-1-amine

N-(2-methylpropyl)-4-octan-2-yloxypentan-1-amine (PubChem CID 55078098) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-octan-2-yloxypentan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-octan-2-yloxypentan-1-amine
PubChem CID55078098
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC NameN-(2-methylpropyl)-4-octan-2-yloxypentan-1-amine
SMILESCCCCCCC(C)OC(C)CCCNCC(C)C
InChIInChI=1S/C17H37NO/c1-6-7-8-9-11-16(4)19-17(5)12-10-13-18-14-15(2)3/h15-18H,6-14H2,1-5H3
InChIKeyJTLUHDHJYRZLDU-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 54.78
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-octan-2-yloxypentan-1-amine?
The IUPAC name of N-(2-methylpropyl)-4-octan-2-yloxypentan-1-amine (CID 55078098) is N-(2-methylpropyl)-4-octan-2-yloxypentan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-4-octan-2-yloxypentan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-4-octan-2-yloxypentan-1-amine is CCCCCCC(C)OC(C)CCCNCC(C)C.
What is the InChIKey of N-(2-methylpropyl)-4-octan-2-yloxypentan-1-amine?
The InChIKey is JTLUHDHJYRZLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO/c1-6-7-8-9-11-16(4)19-17(5)12-10-13-18-14-15(2)3/h15-18H,6-14H2,1-5H3.
What are the key properties of N-(2-methylpropyl)-4-octan-2-yloxypentan-1-amine?
N-(2-methylpropyl)-4-octan-2-yloxypentan-1-amine has a molecular weight of 271.49 g/mol, XLogP of 4.78, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-octan-2-yloxypentan-1-amine is sourced from PubChem (CID 55078098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).