3-(2-butoxyethoxy)-N-(2-methylpropyl)butan-1-amine

C14H31NO2 — CID 115002619

IUPAC3-(2-butoxyethoxy)-N-(2-methylpropyl)butan-1-amine
SMILESCCCCOCCOC(C)CCNCC(C)C
InChIInChI=1S/C14H31NO2/c1-5-6-9-16-10-11-17-14(4)7-8-15-12-13(2)3/h13-15H,5-12H2,1-4H3
InChIKeyGTLRPPSNCNVZDA-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.84
Rot. Bonds12

About 3-(2-butoxyethoxy)-N-(2-methylpropyl)butan-1-amine

3-(2-butoxyethoxy)-N-(2-methylpropyl)butan-1-amine (PubChem CID 115002619) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 3-(2-butoxyethoxy)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name3-(2-butoxyethoxy)-N-(2-methylpropyl)butan-1-amine
PubChem CID115002619
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name3-(2-butoxyethoxy)-N-(2-methylpropyl)butan-1-amine
SMILESCCCCOCCOC(C)CCNCC(C)C
InChIInChI=1S/C14H31NO2/c1-5-6-9-16-10-11-17-14(4)7-8-15-12-13(2)3/h13-15H,5-12H2,1-4H3
InChIKeyGTLRPPSNCNVZDA-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-butoxyethoxy)-N-propan-2-ylbutan-1-amine
CID 115002778
4-(2-butoxyethoxy)-N-propylpentan-1-amine
CID 55078093
2-methyl-N-[3-(2-propoxyethoxy)propyl]propan-1-amine
CID 63684721
3-(3-methoxypropoxy)-N-(2-methylpropyl)butan-1-amine
CID 115001737
N-(2-heptoxyethyl)-2-methylpropan-1-amine
CID 62457906
4-hexoxy-N-(2-methylpropyl)butan-1-amine
CID 62455139
4-butoxy-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 62514326
N-[2-(2-butoxyethoxy)propyl]pentan-2-amine
CID 62598678
N-[2-[2-(2-methylpropoxy)ethoxy]propyl]butan-1-amine
CID 106450242
N-(3-butan-2-yloxypropyl)-2-methylpropan-1-amine
CID 62453800
3-propoxy-N-(3-propoxybutyl)butan-1-amine
CID 88850441
N-[2-(2-ethoxyethoxy)propyl]pentan-1-amine
CID 62565008

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethoxy)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 3-(2-butoxyethoxy)-N-(2-methylpropyl)butan-1-amine (CID 115002619) is 3-(2-butoxyethoxy)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 3-(2-butoxyethoxy)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 3-(2-butoxyethoxy)-N-(2-methylpropyl)butan-1-amine is CCCCOCCOC(C)CCNCC(C)C.
What is the InChIKey of 3-(2-butoxyethoxy)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is GTLRPPSNCNVZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-5-6-9-16-10-11-17-14(4)7-8-15-12-13(2)3/h13-15H,5-12H2,1-4H3.
What are the key properties of 3-(2-butoxyethoxy)-N-(2-methylpropyl)butan-1-amine?
3-(2-butoxyethoxy)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 2.84, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethoxy)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 115002619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).