4-[4-(3-aminopropoxy)-4-methylpentoxy]-4-methylpentan-1-amine

C15H34N2O2 — CID 88553691

IUPAC4-[4-(3-aminopropoxy)-4-methylpentoxy]-4-methylpentan-1-amine
SMILESCC(C)(CCCN)OCCCC(C)(C)OCCCN
InChIInChI=1S/C15H34N2O2/c1-14(2,8-5-10-16)18-12-6-9-15(3,4)19-13-7-11-17/h5-13,16-17H2,1-4H3
InChIKeyVSARADQMTVOEPV-UHFFFAOYSA-N
MW274.45 g/mol
LogP2.44
Rot. Bonds12

About 4-[4-(3-aminopropoxy)-4-methylpentoxy]-4-methylpentan-1-amine

4-[4-(3-aminopropoxy)-4-methylpentoxy]-4-methylpentan-1-amine (PubChem CID 88553691) has the molecular formula C15H34N2O2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 4-[4-(3-aminopropoxy)-4-methylpentoxy]-4-methylpentan-1-amine.

Molecular Properties

Compound Name4-[4-(3-aminopropoxy)-4-methylpentoxy]-4-methylpentan-1-amine
PubChem CID88553691
Molecular FormulaC15H34N2O2
Molecular Weight274.45 g/mol
Exact Mass274.26
IUPAC Name4-[4-(3-aminopropoxy)-4-methylpentoxy]-4-methylpentan-1-amine
SMILESCC(C)(CCCN)OCCCC(C)(C)OCCCN
InChIInChI=1S/C15H34N2O2/c1-14(2,8-5-10-16)18-12-6-9-15(3,4)19-13-7-11-17/h5-13,16-17H2,1-4H3
InChIKeyVSARADQMTVOEPV-UHFFFAOYSA-N
XLogP2.44
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-aminopropoxy)-4-methylpentoxy]-4-methylpentan-1-amine?
The IUPAC name of 4-[4-(3-aminopropoxy)-4-methylpentoxy]-4-methylpentan-1-amine (CID 88553691) is 4-[4-(3-aminopropoxy)-4-methylpentoxy]-4-methylpentan-1-amine.
What is the SMILES notation for 4-[4-(3-aminopropoxy)-4-methylpentoxy]-4-methylpentan-1-amine?
The canonical SMILES for 4-[4-(3-aminopropoxy)-4-methylpentoxy]-4-methylpentan-1-amine is CC(C)(CCCN)OCCCC(C)(C)OCCCN.
What is the InChIKey of 4-[4-(3-aminopropoxy)-4-methylpentoxy]-4-methylpentan-1-amine?
The InChIKey is VSARADQMTVOEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O2/c1-14(2,8-5-10-16)18-12-6-9-15(3,4)19-13-7-11-17/h5-13,16-17H2,1-4H3.
What are the key properties of 4-[4-(3-aminopropoxy)-4-methylpentoxy]-4-methylpentan-1-amine?
4-[4-(3-aminopropoxy)-4-methylpentoxy]-4-methylpentan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 2.44, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-aminopropoxy)-4-methylpentoxy]-4-methylpentan-1-amine is sourced from PubChem (CID 88553691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).