N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pentan-1-amine

C15H34N2O3 — CID 175309381

IUPACN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pentan-1-amine
SMILESCCCCCNCCCOCCOCCOCCCN
InChIInChI=1S/C15H34N2O3/c1-2-3-4-8-17-9-6-11-19-13-15-20-14-12-18-10-5-7-16/h17H,2-16H2,1H3
InChIKeyAQODBYOKZWKZDD-UHFFFAOYSA-N
MW290.45 g/mol
LogP1.55
Rot. Bonds17

About N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pentan-1-amine

N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pentan-1-amine (PubChem CID 175309381) has the molecular formula C15H34N2O3 and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pentan-1-amine.

Molecular Properties

Compound NameN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pentan-1-amine
PubChem CID175309381
Molecular FormulaC15H34N2O3
Molecular Weight290.45 g/mol
Exact Mass290.26
IUPAC NameN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pentan-1-amine
SMILESCCCCCNCCCOCCOCCOCCCN
InChIInChI=1S/C15H34N2O3/c1-2-3-4-8-17-9-6-11-19-13-15-20-14-12-18-10-5-7-16/h17H,2-16H2,1H3
InChIKeyAQODBYOKZWKZDD-UHFFFAOYSA-N
XLogP1.55
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methoxyethoxy)propyl]hexan-1-amine
CID 28880105
3-pentoxy-N-propylpropan-1-amine
CID 62451352
N'-dodecylheptane-1,7-diamine
CID 122537296
N'-pentyltridecane-1,13-diamine
CID 174397381
heptan-1-amine;N-nonylnonan-1-amine
CID 175163208
hexan-1-amine;N-hexylhexan-1-amine
CID 118077352
3-[4-(2-butoxyethoxy)butoxy]propan-1-amine
CID 118457159
3-(15-dodecoxypentadecoxy)propan-1-amine
CID 87645067
ethane;N'-pentylbutane-1,4-diamine
CID 171066485
N-[3-(2-chloroethoxy)propyl]pentan-1-amine
CID 106306037
N-(2-butoxyethyl)heptan-1-amine
CID 61168932
5-pentoxy-N-propylpentan-1-amine
CID 62451179

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pentan-1-amine?
The IUPAC name of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pentan-1-amine (CID 175309381) is N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pentan-1-amine.
What is the SMILES notation for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pentan-1-amine?
The canonical SMILES for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pentan-1-amine is CCCCCNCCCOCCOCCOCCCN.
What is the InChIKey of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pentan-1-amine?
The InChIKey is AQODBYOKZWKZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O3/c1-2-3-4-8-17-9-6-11-19-13-15-20-14-12-18-10-5-7-16/h17H,2-16H2,1H3.
What are the key properties of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pentan-1-amine?
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pentan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 1.55, 17 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pentan-1-amine is sourced from PubChem (CID 175309381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).