N,N-didecoxybutan-1-amine

C24H51NO2 — CID 57054979

IUPACN,N-didecoxybutan-1-amine
SMILESCCCCCCCCCCON(CCCC)OCCCCCCCCCC
InChIInChI=1S/C24H51NO2/c1-4-7-10-12-14-16-18-20-23-26-25(22-9-6-3)27-24-21-19-17-15-13-11-8-5-2/h4-24H2,1-3H3
InChIKeyYEYIPSXSVMVXHN-UHFFFAOYSA-N
MW385.68 g/mol
LogP8.23
Rot. Bonds23

About N,N-didecoxybutan-1-amine

N,N-didecoxybutan-1-amine (PubChem CID 57054979) has the molecular formula C24H51NO2 and a molecular weight of 385.68 g/mol. Its IUPAC name is N,N-didecoxybutan-1-amine.

Molecular Properties

Compound NameN,N-didecoxybutan-1-amine
PubChem CID57054979
Molecular FormulaC24H51NO2
Molecular Weight385.68 g/mol
Exact Mass385.39
IUPAC NameN,N-didecoxybutan-1-amine
SMILESCCCCCCCCCCON(CCCC)OCCCCCCCCCC
InChIInChI=1S/C24H51NO2/c1-4-7-10-12-14-16-18-20-23-26-25(22-9-6-3)27-24-21-19-17-15-13-11-8-5-2/h4-24H2,1-3H3
InChIKeyYEYIPSXSVMVXHN-UHFFFAOYSA-N
XLogP8.23
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.68
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[butyl(4-hydroxybutoxy)amino]oxybutan-1-ol
CID 87183048
2-[2-hydroxyethoxy(nonadecyl)amino]oxyethanol
CID 87327457
2-[butyl(2-hydroxyethoxy)amino]oxyethanol;decanoic acid
CID 173031616
tris(2-[butyl(2-hydroxyethoxy)amino]oxyethanol);undecanedioic acid;undecanoic acid
CID 173155044
2-[dodecoxy(ethyl)amino]ethanol
CID 19017012
3-amino-3-heptadecylpentane-1,5-diol;2-[butyl(2-hydroxyethoxy)amino]oxyethanol
CID 174172810
2-[heptadecyl(2-hydroxyethoxy)amino]oxyethanol;octadecanoic acid
CID 174704040
2-[2-hydroxyethoxy(pentadecyl)amino]oxyethanol;octadecanoic acid
CID 90146048
decane;ruthenium
CID 160818595
1,2-dipropyl-1-tridecoxyhydrazine
CID 88695214
1-decoxy-1,2-dipropylhydrazine
CID 87743617
1-dodecoxyhexadecane
CID 22256973

Frequently Asked Questions

What is the IUPAC name of N,N-didecoxybutan-1-amine?
The IUPAC name of N,N-didecoxybutan-1-amine (CID 57054979) is N,N-didecoxybutan-1-amine.
What is the SMILES notation for N,N-didecoxybutan-1-amine?
The canonical SMILES for N,N-didecoxybutan-1-amine is CCCCCCCCCCON(CCCC)OCCCCCCCCCC.
What is the InChIKey of N,N-didecoxybutan-1-amine?
The InChIKey is YEYIPSXSVMVXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51NO2/c1-4-7-10-12-14-16-18-20-23-26-25(22-9-6-3)27-24-21-19-17-15-13-11-8-5-2/h4-24H2,1-3H3.
What are the key properties of N,N-didecoxybutan-1-amine?
N,N-didecoxybutan-1-amine has a molecular weight of 385.68 g/mol, XLogP of 8.23, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-didecoxybutan-1-amine is sourced from PubChem (CID 57054979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).