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

C15H34N2O2 — CID 90861062

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

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

4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methylhexan-1-amine (PubChem CID 90861062) has the molecular formula C15H34N2O2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methylhexan-1-amine.

Molecular Properties

Compound Name4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methylhexan-1-amine
PubChem CID90861062
Molecular FormulaC15H34N2O2
Molecular Weight274.45 g/mol
Exact Mass274.26
IUPAC Name4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methylhexan-1-amine
SMILESCCC(C)(CCCN)OCCC(C)(C)OCCCN
InChIInChI=1S/C15H34N2O2/c1-5-15(4,8-6-10-16)19-13-9-14(2,3)18-12-7-11-17/h5-13,16-17H2,1-4H3
InChIKeyLACNMCFBGNKHHA-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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Related Compounds

4-[3-(3-aminopropoxy)-3-methylpentoxy]-4-methylhexan-1-amine
CID 143332737
4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methylpentan-1-amine
CID 88566862
3-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropan-1-amine
CID 88578913
4-[3-(2-hydroxyethoxy)-3-methylbutoxy]-4-methylhexan-1-ol
CID 123708983
O-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylbutyl]hydroxylamine
CID 123603845
3-[2-(3-aminopropoxy)-2-methylpropoxy]-3-methylbutan-1-amine
CID 126734021
3-(3,3-dimethylpentoxy)-3-methylbutan-1-amine
CID 91197205
2-(3-methylpentan-3-yloxy)ethanamine
CID 87222058
2-(3-butoxy-3-methylbutoxy)-2-methylpentane
CID 130387675
2-[3-[3-[2-(2-aminoethoxy)ethoxy]-2,2-bis[2-(2-aminoethoxy)ethoxymethyl]propoxy]-3-methylpentoxy]-2-methylpropan-1-amine
CID 165429919
2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropan-1-ol
CID 142624921
1-[[4-[3-[2-[(3,5-dimethoxyphenyl)methoxy]ethoxy]-3-methylbutoxy]-4-methylhexoxy]methyl]-3,5-dimethoxybenzene
CID 123414097

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methylhexan-1-amine?
The IUPAC name of 4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methylhexan-1-amine (CID 90861062) is 4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methylhexan-1-amine.
What is the SMILES notation for 4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methylhexan-1-amine?
The canonical SMILES for 4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methylhexan-1-amine is CCC(C)(CCCN)OCCC(C)(C)OCCCN.
What is the InChIKey of 4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methylhexan-1-amine?
The InChIKey is LACNMCFBGNKHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O2/c1-5-15(4,8-6-10-16)19-13-9-14(2,3)18-12-7-11-17/h5-13,16-17H2,1-4H3.
What are the key properties of 4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methylhexan-1-amine?
4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methylhexan-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-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methylhexan-1-amine is sourced from PubChem (CID 90861062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).