5-[2-(3-methoxypropoxy)ethoxy]-N-propylpentan-1-amine

C14H31NO3 — CID 103181294

IUPAC5-[2-(3-methoxypropoxy)ethoxy]-N-propylpentan-1-amine
SMILESCCCNCCCCCOCCOCCCOC
InChIInChI=1S/C14H31NO3/c1-3-8-15-9-5-4-6-11-17-13-14-18-12-7-10-16-2/h15H,3-14H2,1-2H3
InChIKeyXFWDJCQYDPCEAG-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.23
Rot. Bonds15

About 5-[2-(3-methoxypropoxy)ethoxy]-N-propylpentan-1-amine

5-[2-(3-methoxypropoxy)ethoxy]-N-propylpentan-1-amine (PubChem CID 103181294) has the molecular formula C14H31NO3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 5-[2-(3-methoxypropoxy)ethoxy]-N-propylpentan-1-amine.

Molecular Properties

Compound Name5-[2-(3-methoxypropoxy)ethoxy]-N-propylpentan-1-amine
PubChem CID103181294
Molecular FormulaC14H31NO3
Molecular Weight261.41 g/mol
Exact Mass261.23
IUPAC Name5-[2-(3-methoxypropoxy)ethoxy]-N-propylpentan-1-amine
SMILESCCCNCCCCCOCCOCCCOC
InChIInChI=1S/C14H31NO3/c1-3-8-15-9-5-4-6-11-17-13-14-18-12-7-10-16-2/h15H,3-14H2,1-2H3
InChIKeyXFWDJCQYDPCEAG-UHFFFAOYSA-N
XLogP2.23
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-pentoxy-N-propylpentan-1-amine
CID 62451179
N-[3-(2-methoxyethoxy)propyl]hexan-1-amine
CID 28880105
N-(4-methoxybutyl)tetradecan-1-amine
CID 145085752
N-(2-hexoxyethyl)-3-methoxypropan-1-amine
CID 62599714
7-ethoxy-N-propylheptan-1-amine
CID 163393813
3-hexoxy-N-propylpropan-1-amine
CID 62456253
N-[2-(2-methoxyethoxy)ethyl]dodecan-1-amine
CID 63492773
6-[2-(3-methoxypropoxy)ethoxy]-N-(2-methylpropyl)hexan-1-amine
CID 103181280
3-pentoxy-N-propylpropan-1-amine
CID 62451352
3-methoxy-N-[2-(2-propoxyethoxy)ethyl]propan-1-amine
CID 63685704
6-iodo-N-[2-(3-methoxypropoxy)ethyl]hexan-1-amine
CID 107844873
5-[2-(dimethylamino)ethoxy]-N-propylpentan-1-amine
CID 62458591

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methoxypropoxy)ethoxy]-N-propylpentan-1-amine?
The IUPAC name of 5-[2-(3-methoxypropoxy)ethoxy]-N-propylpentan-1-amine (CID 103181294) is 5-[2-(3-methoxypropoxy)ethoxy]-N-propylpentan-1-amine.
What is the SMILES notation for 5-[2-(3-methoxypropoxy)ethoxy]-N-propylpentan-1-amine?
The canonical SMILES for 5-[2-(3-methoxypropoxy)ethoxy]-N-propylpentan-1-amine is CCCNCCCCCOCCOCCCOC.
What is the InChIKey of 5-[2-(3-methoxypropoxy)ethoxy]-N-propylpentan-1-amine?
The InChIKey is XFWDJCQYDPCEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO3/c1-3-8-15-9-5-4-6-11-17-13-14-18-12-7-10-16-2/h15H,3-14H2,1-2H3.
What are the key properties of 5-[2-(3-methoxypropoxy)ethoxy]-N-propylpentan-1-amine?
5-[2-(3-methoxypropoxy)ethoxy]-N-propylpentan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.23, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methoxypropoxy)ethoxy]-N-propylpentan-1-amine is sourced from PubChem (CID 103181294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).