4-(2-butoxyethoxy)-N-propylpentan-1-amine

C14H31NO2 — CID 55078093

IUPAC4-(2-butoxyethoxy)-N-propylpentan-1-amine
SMILESCCCCOCCOC(C)CCCNCCC
InChIInChI=1S/C14H31NO2/c1-4-6-11-16-12-13-17-14(3)8-7-10-15-9-5-2/h14-15H,4-13H2,1-3H3
InChIKeyKKOALIOYJOPOFA-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.99
Rot. Bonds13

About 4-(2-butoxyethoxy)-N-propylpentan-1-amine

4-(2-butoxyethoxy)-N-propylpentan-1-amine (PubChem CID 55078093) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 4-(2-butoxyethoxy)-N-propylpentan-1-amine.

Molecular Properties

Compound Name4-(2-butoxyethoxy)-N-propylpentan-1-amine
PubChem CID55078093
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name4-(2-butoxyethoxy)-N-propylpentan-1-amine
SMILESCCCCOCCOC(C)CCCNCCC
InChIInChI=1S/C14H31NO2/c1-4-6-11-16-12-13-17-14(3)8-7-10-15-9-5-2/h14-15H,4-13H2,1-3H3
InChIKeyKKOALIOYJOPOFA-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
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

4-(3-methylbutoxy)-N-propylpentan-1-amine
CID 62445161
3-(2-butoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 115002619
4-ethoxy-N-propylpentan-1-amine
CID 62446191
3-(2-butoxyethoxy)-N-propan-2-ylbutan-1-amine
CID 115002778
3-butan-2-yloxy-N-propylpropan-1-amine
CID 62453797
4-pent-4-enoxy-N-propylpentan-1-amine
CID 79114922
N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pentan-1-amine
CID 103406214
N-(2-octan-2-yloxyethyl)pentan-1-amine
CID 55194379
3-pentoxy-N-propylpropan-1-amine
CID 62451352
N-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 166800536
4-octan-2-yloxy-N-propylpentan-1-amine
CID 55078052
N-(2-pentan-2-yloxyethyl)hexan-1-amine
CID 102987397

Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyethoxy)-N-propylpentan-1-amine?
The IUPAC name of 4-(2-butoxyethoxy)-N-propylpentan-1-amine (CID 55078093) is 4-(2-butoxyethoxy)-N-propylpentan-1-amine.
What is the SMILES notation for 4-(2-butoxyethoxy)-N-propylpentan-1-amine?
The canonical SMILES for 4-(2-butoxyethoxy)-N-propylpentan-1-amine is CCCCOCCOC(C)CCCNCCC.
What is the InChIKey of 4-(2-butoxyethoxy)-N-propylpentan-1-amine?
The InChIKey is KKOALIOYJOPOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-4-6-11-16-12-13-17-14(3)8-7-10-15-9-5-2/h14-15H,4-13H2,1-3H3.
What are the key properties of 4-(2-butoxyethoxy)-N-propylpentan-1-amine?
4-(2-butoxyethoxy)-N-propylpentan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 2.99, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethoxy)-N-propylpentan-1-amine is sourced from PubChem (CID 55078093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).