3-propoxy-N-(3-propoxybutyl)butan-1-amine

C14H31NO2 — CID 88850441

IUPAC3-propoxy-N-(3-propoxybutyl)butan-1-amine
SMILESCCCOC(C)CCNCCC(C)OCCC
InChIInChI=1S/C14H31NO2/c1-5-11-16-13(3)7-9-15-10-8-14(4)17-12-6-2/h13-15H,5-12H2,1-4H3
InChIKeyGVOPTVFXXCRQON-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.99
Rot. Bonds12

About 3-propoxy-N-(3-propoxybutyl)butan-1-amine

3-propoxy-N-(3-propoxybutyl)butan-1-amine (PubChem CID 88850441) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 3-propoxy-N-(3-propoxybutyl)butan-1-amine.

Molecular Properties

Compound Name3-propoxy-N-(3-propoxybutyl)butan-1-amine
PubChem CID88850441
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name3-propoxy-N-(3-propoxybutyl)butan-1-amine
SMILESCCCOC(C)CCNCCC(C)OCCC
InChIInChI=1S/C14H31NO2/c1-5-11-16-13(3)7-9-15-10-8-14(4)17-12-6-2/h13-15H,5-12H2,1-4H3
InChIKeyGVOPTVFXXCRQON-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
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

N-(2-pentan-2-yloxyethyl)hexan-1-amine
CID 102987397
N-(2-octan-2-yloxyethyl)pentan-1-amine
CID 55194379
4-(3-methylbutoxy)-N-propylpentan-1-amine
CID 62445161
N-(2-propoxypropyl)butan-1-amine
CID 62583755
3-(2-butoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 115002619
5-propoxyhexanal
CID 57004791
2,5,6-trimethyl-9-propoxydecane
CID 143799470
(4R)-4-propoxypentan-1-ol
CID 54320299
2-[(2S)-pentan-2-yl]oxyethanol
CID 89167429
6-propoxyheptan-3-amine
CID 91107877
4-(2-butoxyethoxy)-N-propylpentan-1-amine
CID 55078093
CID 123186156
CID 123186156

Frequently Asked Questions

What is the IUPAC name of 3-propoxy-N-(3-propoxybutyl)butan-1-amine?
The IUPAC name of 3-propoxy-N-(3-propoxybutyl)butan-1-amine (CID 88850441) is 3-propoxy-N-(3-propoxybutyl)butan-1-amine.
What is the SMILES notation for 3-propoxy-N-(3-propoxybutyl)butan-1-amine?
The canonical SMILES for 3-propoxy-N-(3-propoxybutyl)butan-1-amine is CCCOC(C)CCNCCC(C)OCCC.
What is the InChIKey of 3-propoxy-N-(3-propoxybutyl)butan-1-amine?
The InChIKey is GVOPTVFXXCRQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-5-11-16-13(3)7-9-15-10-8-14(4)17-12-6-2/h13-15H,5-12H2,1-4H3.
What are the key properties of 3-propoxy-N-(3-propoxybutyl)butan-1-amine?
3-propoxy-N-(3-propoxybutyl)butan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 2.99, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-N-(3-propoxybutyl)butan-1-amine is sourced from PubChem (CID 88850441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).