N-(2-methylpropyl)-8-propan-2-yloxyoctan-1-amine

C15H33NO — CID 176612185

IUPACN-(2-methylpropyl)-8-propan-2-yloxyoctan-1-amine
SMILESCC(C)CNCCCCCCCCOC(C)C
InChIInChI=1S/C15H33NO/c1-14(2)13-16-11-9-7-5-6-8-10-12-17-15(3)4/h14-16H,5-13H2,1-4H3
InChIKeyASAYLBINDJXBJR-UHFFFAOYSA-N
MW243.43 g/mol
LogP4.00
Rot. Bonds12

About N-(2-methylpropyl)-8-propan-2-yloxyoctan-1-amine

N-(2-methylpropyl)-8-propan-2-yloxyoctan-1-amine (PubChem CID 176612185) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is N-(2-methylpropyl)-8-propan-2-yloxyoctan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-8-propan-2-yloxyoctan-1-amine
PubChem CID176612185
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC NameN-(2-methylpropyl)-8-propan-2-yloxyoctan-1-amine
SMILESCC(C)CNCCCCCCCCOC(C)C
InChIInChI=1S/C15H33NO/c1-14(2)13-16-11-9-7-5-6-8-10-12-17-15(3)4/h14-16H,5-13H2,1-4H3
InChIKeyASAYLBINDJXBJR-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 54.00
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

3-nonan-3-yloxy-N-(3-nonan-3-yloxypropyl)propan-1-amine
CID 19385178
3-decan-3-yloxy-N-(3-decan-3-yloxypropyl)propan-1-amine
CID 19385187
4-Octadecoxypiperidine
CID 19819864
N'-(6-octadecoxyhexyl)decane-1,10-diamine
CID 19938811
11-methoxy-N-methylundecan-1-amine
CID 20762079
12-methoxy-N-methyldodecan-1-amine
CID 20764888
N-(3-decoxypropyl)octan-1-amine
CID 23026508
N-methyl-8-(3-octyloxiran-2-yl)octan-1-amine
CID 23344082
4-Octoxypiperidine
CID 43128507
8-methoxy-N-methyloctan-1-amine
CID 53769763
N'-(18-ethoxyoctadecyl)propane-1,3-diamine
CID 54104506
9-methoxy-N-methylnonan-1-amine
CID 58451592

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-8-propan-2-yloxyoctan-1-amine?
The IUPAC name of N-(2-methylpropyl)-8-propan-2-yloxyoctan-1-amine (CID 176612185) is N-(2-methylpropyl)-8-propan-2-yloxyoctan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-8-propan-2-yloxyoctan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-8-propan-2-yloxyoctan-1-amine is CC(C)CNCCCCCCCCOC(C)C.
What is the InChIKey of N-(2-methylpropyl)-8-propan-2-yloxyoctan-1-amine?
The InChIKey is ASAYLBINDJXBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-14(2)13-16-11-9-7-5-6-8-10-12-17-15(3)4/h14-16H,5-13H2,1-4H3.
What are the key properties of N-(2-methylpropyl)-8-propan-2-yloxyoctan-1-amine?
N-(2-methylpropyl)-8-propan-2-yloxyoctan-1-amine has a molecular weight of 243.43 g/mol, XLogP of 4.00, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-8-propan-2-yloxyoctan-1-amine is sourced from PubChem (CID 176612185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).