N-(2-octan-2-yloxyethyl)pentan-1-amine

C15H33NO — CID 55194379

IUPACN-(2-octan-2-yloxyethyl)pentan-1-amine
SMILESCCCCCCC(C)OCCNCCCCC
InChIInChI=1S/C15H33NO/c1-4-6-8-9-11-15(3)17-14-13-16-12-10-7-5-2/h15-16H,4-14H2,1-3H3
InChIKeyHEKWTRMMQKDHQD-UHFFFAOYSA-N
MW243.43 g/mol
LogP4.14
Rot. Bonds13

About N-(2-octan-2-yloxyethyl)pentan-1-amine

N-(2-octan-2-yloxyethyl)pentan-1-amine (PubChem CID 55194379) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is N-(2-octan-2-yloxyethyl)pentan-1-amine.

Molecular Properties

Compound NameN-(2-octan-2-yloxyethyl)pentan-1-amine
PubChem CID55194379
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC NameN-(2-octan-2-yloxyethyl)pentan-1-amine
SMILESCCCCCCC(C)OCCNCCCCC
InChIInChI=1S/C15H33NO/c1-4-6-8-9-11-15(3)17-14-13-16-12-10-7-5-2/h15-16H,4-14H2,1-3H3
InChIKeyHEKWTRMMQKDHQD-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 54.14
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

N-(2-pentan-2-yloxyethyl)hexan-1-amine
CID 102987397
N-[2-(4-methylpentan-2-yloxy)ethyl]hexan-1-amine
CID 62572811
1-octan-2-yloxydecane
CID 86220707
1-nonan-2-yloxyoctadecane
CID 88815684
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069
4-octan-2-yloxy-N-propan-2-ylbutan-1-amine
CID 55133286
N-(cyclohexylmethyl)-2-octan-2-yloxyethanamine
CID 55194759
N-hexadecyl-18-methylnonadecan-1-amine
CID 158287107
1-hexan-2-yloxydecane
CID 57029724
N-(6-methylheptyl)octadecan-1-amine
CID 162253708
4-octan-2-yloxy-N-propylpentan-1-amine
CID 55078052

Frequently Asked Questions

What is the IUPAC name of N-(2-octan-2-yloxyethyl)pentan-1-amine?
The IUPAC name of N-(2-octan-2-yloxyethyl)pentan-1-amine (CID 55194379) is N-(2-octan-2-yloxyethyl)pentan-1-amine.
What is the SMILES notation for N-(2-octan-2-yloxyethyl)pentan-1-amine?
The canonical SMILES for N-(2-octan-2-yloxyethyl)pentan-1-amine is CCCCCCC(C)OCCNCCCCC.
What is the InChIKey of N-(2-octan-2-yloxyethyl)pentan-1-amine?
The InChIKey is HEKWTRMMQKDHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-4-6-8-9-11-15(3)17-14-13-16-12-10-7-5-2/h15-16H,4-14H2,1-3H3.
What are the key properties of N-(2-octan-2-yloxyethyl)pentan-1-amine?
N-(2-octan-2-yloxyethyl)pentan-1-amine has a molecular weight of 243.43 g/mol, XLogP of 4.14, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-octan-2-yloxyethyl)pentan-1-amine is sourced from PubChem (CID 55194379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).