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

C16H36N2O2 — CID 143332737

IUPAC4-[3-(3-aminopropoxy)-3-methylpentoxy]-4-methylhexan-1-amine
SMILESCCC(C)(CCCN)OCCC(C)(CC)OCCCN
InChIInChI=1S/C16H36N2O2/c1-5-15(3,9-7-11-17)20-14-10-16(4,6-2)19-13-8-12-18/h5-14,17-18H2,1-4H3
InChIKeyUGYDRKONDAXNTQ-UHFFFAOYSA-N
MW288.48 g/mol
LogP2.83
Rot. Bonds13

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

4-[3-(3-aminopropoxy)-3-methylpentoxy]-4-methylhexan-1-amine (PubChem CID 143332737) has the molecular formula C16H36N2O2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 4-[3-(3-aminopropoxy)-3-methylpentoxy]-4-methylhexan-1-amine.

Molecular Properties

Compound Name4-[3-(3-aminopropoxy)-3-methylpentoxy]-4-methylhexan-1-amine
PubChem CID143332737
Molecular FormulaC16H36N2O2
Molecular Weight288.48 g/mol
Exact Mass288.28
IUPAC Name4-[3-(3-aminopropoxy)-3-methylpentoxy]-4-methylhexan-1-amine
SMILESCCC(C)(CCCN)OCCC(C)(CC)OCCCN
InChIInChI=1S/C16H36N2O2/c1-5-15(3,9-7-11-17)20-14-10-16(4,6-2)19-13-8-12-18/h5-14,17-18H2,1-4H3
InChIKeyUGYDRKONDAXNTQ-UHFFFAOYSA-N
XLogP2.83
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 52.83
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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Related Compounds

4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methylhexan-1-amine
CID 90861062
2-(3-methylpentan-3-yloxy)ethanamine
CID 87222058
4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methylpentan-1-amine
CID 88566862
4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-amine
CID 142600828
3-methyl-1-(3-methylpentan-3-yloxy)-3-(2-methylpropoxy)pentane
CID 89169879
2-[3-(2,2-dimethylpropoxy)-3-methylpentoxy]butan-2-amine
CID 123534203
3-(3-ethoxy-3-methylpentoxy)-3-methylpentan-1-ol
CID 155151234
3-[(3S)-2,2,3-trimethylhexan-3-yl]oxypropan-1-amine
CID 138567145
3-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropan-1-amine
CID 88578913
2-[3-[3-[2-(2-aminoethoxy)ethoxy]-2,2-bis[2-(2-aminoethoxy)ethoxymethyl]propoxy]-3-methylpentoxy]-2-methylpropan-1-amine
CID 165429919
4-[3-(2-hydroxyethoxy)-3-methylbutoxy]-4-methylhexan-1-ol
CID 123708983
O-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylbutyl]hydroxylamine
CID 123603845

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-aminopropoxy)-3-methylpentoxy]-4-methylhexan-1-amine?
The IUPAC name of 4-[3-(3-aminopropoxy)-3-methylpentoxy]-4-methylhexan-1-amine (CID 143332737) is 4-[3-(3-aminopropoxy)-3-methylpentoxy]-4-methylhexan-1-amine.
What is the SMILES notation for 4-[3-(3-aminopropoxy)-3-methylpentoxy]-4-methylhexan-1-amine?
The canonical SMILES for 4-[3-(3-aminopropoxy)-3-methylpentoxy]-4-methylhexan-1-amine is CCC(C)(CCCN)OCCC(C)(CC)OCCCN.
What is the InChIKey of 4-[3-(3-aminopropoxy)-3-methylpentoxy]-4-methylhexan-1-amine?
The InChIKey is UGYDRKONDAXNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O2/c1-5-15(3,9-7-11-17)20-14-10-16(4,6-2)19-13-8-12-18/h5-14,17-18H2,1-4H3.
What are the key properties of 4-[3-(3-aminopropoxy)-3-methylpentoxy]-4-methylhexan-1-amine?
4-[3-(3-aminopropoxy)-3-methylpentoxy]-4-methylhexan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 2.83, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-aminopropoxy)-3-methylpentoxy]-4-methylhexan-1-amine is sourced from PubChem (CID 143332737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).