4-ethoxy-N-(2-methylpropyl)butan-1-amine

C10H23NO — CID 60957098

IUPAC4-ethoxy-N-(2-methylpropyl)butan-1-amine
SMILESCCOCCCCNCC(C)C
InChIInChI=1S/C10H23NO/c1-4-12-8-6-5-7-11-9-10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyHCOIEOVLXSTEAS-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.05
Rot. Bonds8

About 4-ethoxy-N-(2-methylpropyl)butan-1-amine

4-ethoxy-N-(2-methylpropyl)butan-1-amine (PubChem CID 60957098) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 4-ethoxy-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-(2-methylpropyl)butan-1-amine
PubChem CID60957098
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name4-ethoxy-N-(2-methylpropyl)butan-1-amine
SMILESCCOCCCCNCC(C)C
InChIInChI=1S/C10H23NO/c1-4-12-8-6-5-7-11-9-10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyHCOIEOVLXSTEAS-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.05
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-ethoxyethyl)-2-methylpropan-1-amine
CID 43387935
4-hexoxy-N-(2-methylpropyl)butan-1-amine
CID 62455139
4-(4-methylpentoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456980
4-(2-methoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456720
N'-(3-ethoxypropyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 65175588
4-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193
1-N-(3-ethoxypropyl)propane-1,2-diamine
CID 62568793
N-(3-ethoxypropyl)-2,3-dimethylbutan-1-amine
CID 65175065
2-methyl-N-[3-(2-propoxyethoxy)propyl]propan-1-amine
CID 63684721
6-[2-(3-methoxypropoxy)ethoxy]-N-(2-methylpropyl)hexan-1-amine
CID 103181280
6-(2-methylpentoxy)-N-(2-methylpropyl)hexan-1-amine
CID 103285710
5-(2-methylpentoxy)-N-(2-methylpropyl)pentan-1-amine
CID 103285585

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-ethoxy-N-(2-methylpropyl)butan-1-amine (CID 60957098) is 4-ethoxy-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-ethoxy-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-ethoxy-N-(2-methylpropyl)butan-1-amine is CCOCCCCNCC(C)C.
What is the InChIKey of 4-ethoxy-N-(2-methylpropyl)butan-1-amine?
The InChIKey is HCOIEOVLXSTEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-4-12-8-6-5-7-11-9-10(2)3/h10-11H,4-9H2,1-3H3.
What are the key properties of 4-ethoxy-N-(2-methylpropyl)butan-1-amine?
4-ethoxy-N-(2-methylpropyl)butan-1-amine has a molecular weight of 173.30 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 60957098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).