3-butoxy-N-(3-butoxypropyl)propan-1-amine

C14H31NO2 — CID 15767530

IUPAC3-butoxy-N-(3-butoxypropyl)propan-1-amine
SMILESCCCCOCCCNCCCOCCCC
InChIInChI=1S/C14H31NO2/c1-3-5-11-16-13-7-9-15-10-8-14-17-12-6-4-2/h15H,3-14H2,1-2H3
InChIKeyZQXURXABBHTGAW-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.99
Rot. Bonds14

About 3-butoxy-N-(3-butoxypropyl)propan-1-amine

3-butoxy-N-(3-butoxypropyl)propan-1-amine (PubChem CID 15767530) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 3-butoxy-N-(3-butoxypropyl)propan-1-amine.

Molecular Properties

Compound Name3-butoxy-N-(3-butoxypropyl)propan-1-amine
PubChem CID15767530
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name3-butoxy-N-(3-butoxypropyl)propan-1-amine
SMILESCCCCOCCCNCCCOCCCC
InChIInChI=1S/C14H31NO2/c1-3-5-11-16-13-7-9-15-10-8-14-17-12-6-4-2/h15H,3-14H2,1-2H3
InChIKeyZQXURXABBHTGAW-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
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

3-Methoxy-N-(3-methoxypropyl)-1-propanamine
CID 18320509
[3-(2-Methoxyethoxy)propyl](methyl)amine
CID 58311479
3-Ethoxy-n-ethylpropan-1-amine
CID 254952
N'-(3-ethoxypropyl)propane-1,3-diamine
CID 59483297
N-(3-butoxy-2-fluoropropyl)-2-methylpropan-2-amine
CID 161286342
3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 61490922
3-ethoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 61491120
4-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-1-amine
CID 61814150
4-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-2-amine
CID 64605668
3-ethoxy-N-(2-fluoroethyl)propan-1-amine
CID 80693855
3-ethoxy-N-(3-fluoropropyl)propan-1-amine
CID 81107172
N-ethyl-3-(4,4,4-trifluorobutoxy)propan-1-amine
CID 82789589

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-(3-butoxypropyl)propan-1-amine?
The IUPAC name of 3-butoxy-N-(3-butoxypropyl)propan-1-amine (CID 15767530) is 3-butoxy-N-(3-butoxypropyl)propan-1-amine.
What is the SMILES notation for 3-butoxy-N-(3-butoxypropyl)propan-1-amine?
The canonical SMILES for 3-butoxy-N-(3-butoxypropyl)propan-1-amine is CCCCOCCCNCCCOCCCC.
What is the InChIKey of 3-butoxy-N-(3-butoxypropyl)propan-1-amine?
The InChIKey is ZQXURXABBHTGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-3-5-11-16-13-7-9-15-10-8-14-17-12-6-4-2/h15H,3-14H2,1-2H3.
What are the key properties of 3-butoxy-N-(3-butoxypropyl)propan-1-amine?
3-butoxy-N-(3-butoxypropyl)propan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 2.99, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-(3-butoxypropyl)propan-1-amine is sourced from PubChem (CID 15767530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).