N-butyl-N-ethoxydodecan-1-amine

C18H39NO — CID 150955384

IUPACN-butyl-N-ethoxydodecan-1-amine
SMILESCCCCCCCCCCCCN(CCCC)OCC
InChIInChI=1S/C18H39NO/c1-4-7-9-10-11-12-13-14-15-16-18-19(20-6-3)17-8-5-2/h4-18H2,1-3H3
InChIKeyLKZBDSALJXWTQS-UHFFFAOYSA-N
MW285.52 g/mol
LogP5.96
Rot. Bonds16

About N-butyl-N-ethoxydodecan-1-amine

N-butyl-N-ethoxydodecan-1-amine (PubChem CID 150955384) has the molecular formula C18H39NO and a molecular weight of 285.52 g/mol. Its IUPAC name is N-butyl-N-ethoxydodecan-1-amine.

Molecular Properties

Compound NameN-butyl-N-ethoxydodecan-1-amine
PubChem CID150955384
Molecular FormulaC18H39NO
Molecular Weight285.52 g/mol
Exact Mass285.30
IUPAC NameN-butyl-N-ethoxydodecan-1-amine
SMILESCCCCCCCCCCCCN(CCCC)OCC
InChIInChI=1S/C18H39NO/c1-4-7-9-10-11-12-13-14-15-16-18-19(20-6-3)17-8-5-2/h4-18H2,1-3H3
InChIKeyLKZBDSALJXWTQS-UHFFFAOYSA-N
XLogP5.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.52
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

N-butyl-N-ethoxypentan-1-amine
CID 174575432
N-dodecyl-N-ethoxydodecan-1-amine
CID 152741413
N-octadecyl-N-propoxyoctadecan-1-amine
CID 22019862
N-ethoxy-N-methyloctan-1-amine;hydrochloride
CID 174762687
N,N-dibutylpentadecan-1-amine
CID 4175227
N-butyl-N-dodecyldodecan-1-amine;ethane
CID 177188855
N-butyl-N-undecyldodecan-1-amine
CID 168880724
3-[ethoxy(ethyl)amino]propan-1-ol
CID 130124648
N-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine
CID 158494739
decane;ruthenium
CID 160818595
N,N-dimethyldecan-1-amine;ruthenium
CID 158300226
N,N,N',N'-tetra(undecyl)pentane-1,5-diamine
CID 152635971

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethoxydodecan-1-amine?
The IUPAC name of N-butyl-N-ethoxydodecan-1-amine (CID 150955384) is N-butyl-N-ethoxydodecan-1-amine.
What is the SMILES notation for N-butyl-N-ethoxydodecan-1-amine?
The canonical SMILES for N-butyl-N-ethoxydodecan-1-amine is CCCCCCCCCCCCN(CCCC)OCC.
What is the InChIKey of N-butyl-N-ethoxydodecan-1-amine?
The InChIKey is LKZBDSALJXWTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO/c1-4-7-9-10-11-12-13-14-15-16-18-19(20-6-3)17-8-5-2/h4-18H2,1-3H3.
What are the key properties of N-butyl-N-ethoxydodecan-1-amine?
N-butyl-N-ethoxydodecan-1-amine has a molecular weight of 285.52 g/mol, XLogP of 5.96, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethoxydodecan-1-amine is sourced from PubChem (CID 150955384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).