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

C14H31NO2 — CID 19992490

IUPAC1-butoxy-N-(1-butoxypropyl)propan-1-amine
SMILESCCCCOC(CC)NC(CC)OCCCC
InChIInChI=1S/C14H31NO2/c1-5-9-11-16-13(7-3)15-14(8-4)17-12-10-6-2/h13-15H,5-12H2,1-4H3
InChIKeyUUIYDYUDTOYCRL-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.68
Rot. Bonds12

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

1-butoxy-N-(1-butoxypropyl)propan-1-amine (PubChem CID 19992490) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-butoxy-N-(1-butoxypropyl)propan-1-amine.

Molecular Properties

Compound Name1-butoxy-N-(1-butoxypropyl)propan-1-amine
PubChem CID19992490
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name1-butoxy-N-(1-butoxypropyl)propan-1-amine
SMILESCCCCOC(CC)NC(CC)OCCCC
InChIInChI=1S/C14H31NO2/c1-5-9-11-16-13(7-3)15-14(8-4)17-12-10-6-2/h13-15H,5-12H2,1-4H3
InChIKeyUUIYDYUDTOYCRL-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butoxy-N-(1-butoxypropyl)propan-1-amine?
The IUPAC name of 1-butoxy-N-(1-butoxypropyl)propan-1-amine (CID 19992490) is 1-butoxy-N-(1-butoxypropyl)propan-1-amine.
What is the SMILES notation for 1-butoxy-N-(1-butoxypropyl)propan-1-amine?
The canonical SMILES for 1-butoxy-N-(1-butoxypropyl)propan-1-amine is CCCCOC(CC)NC(CC)OCCCC.
What is the InChIKey of 1-butoxy-N-(1-butoxypropyl)propan-1-amine?
The InChIKey is UUIYDYUDTOYCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-5-9-11-16-13(7-3)15-14(8-4)17-12-10-6-2/h13-15H,5-12H2,1-4H3.
What are the key properties of 1-butoxy-N-(1-butoxypropyl)propan-1-amine?
1-butoxy-N-(1-butoxypropyl)propan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 3.68, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-N-(1-butoxypropyl)propan-1-amine is sourced from PubChem (CID 19992490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).