N-butyl-N-ethoxypentan-1-amine

C11H25NO — CID 174575432

IUPACN-butyl-N-ethoxypentan-1-amine
SMILESCCCCCN(CCCC)OCC
InChIInChI=1S/C11H25NO/c1-4-7-9-11-12(13-6-3)10-8-5-2/h4-11H2,1-3H3
InChIKeyUZHBNAUUEISEBA-UHFFFAOYSA-N
MW187.33 g/mol
LogP3.23
Rot. Bonds9

About N-butyl-N-ethoxypentan-1-amine

N-butyl-N-ethoxypentan-1-amine (PubChem CID 174575432) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N-butyl-N-ethoxypentan-1-amine.

Molecular Properties

Compound NameN-butyl-N-ethoxypentan-1-amine
PubChem CID174575432
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN-butyl-N-ethoxypentan-1-amine
SMILESCCCCCN(CCCC)OCC
InChIInChI=1S/C11H25NO/c1-4-7-9-11-12(13-6-3)10-8-5-2/h4-11H2,1-3H3
InChIKeyUZHBNAUUEISEBA-UHFFFAOYSA-N
XLogP3.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 53.23
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-ethoxydodecan-1-amine
CID 150955384
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
3-[ethoxy(ethyl)amino]propan-1-ol
CID 130124648
N-ethoxy-N-(2-phosphanylethyl)propan-1-amine
CID 87618872
N-[bis[(dipentylamino)oxy]-methylsilyl]oxy-N-pentylpentan-1-amine
CID 18760418
N-butyl-N-undecyldodecan-1-amine
CID 168880724
N-butyl-N-methylpentan-1-amine
CID 54060013
N-butyl-N-dodecyldodecan-1-amine;ethane
CID 177188855
N,N-dibutylpentadecan-1-amine
CID 4175227
CID 101037771
CID 101037771

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethoxypentan-1-amine?
The IUPAC name of N-butyl-N-ethoxypentan-1-amine (CID 174575432) is N-butyl-N-ethoxypentan-1-amine.
What is the SMILES notation for N-butyl-N-ethoxypentan-1-amine?
The canonical SMILES for N-butyl-N-ethoxypentan-1-amine is CCCCCN(CCCC)OCC.
What is the InChIKey of N-butyl-N-ethoxypentan-1-amine?
The InChIKey is UZHBNAUUEISEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-4-7-9-11-12(13-6-3)10-8-5-2/h4-11H2,1-3H3.
What are the key properties of N-butyl-N-ethoxypentan-1-amine?
N-butyl-N-ethoxypentan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 3.23, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethoxypentan-1-amine is sourced from PubChem (CID 174575432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).