4-(3-aminopropoxy)-N-[3-(3-methylbutoxy)propyl]butan-1-amine

C15H34N2O2 — CID 57194554

IUPAC4-(3-aminopropoxy)-N-[3-(3-methylbutoxy)propyl]butan-1-amine
SMILESCC(C)CCOCCCNCCCCOCCCN
InChIInChI=1S/C15H34N2O2/c1-15(2)7-14-19-13-6-10-17-9-3-4-11-18-12-5-8-16/h15,17H,3-14,16H2,1-2H3
InChIKeyXUFBGTDPCMANDQ-UHFFFAOYSA-N
MW274.45 g/mol
LogP2.17
Rot. Bonds15

About 4-(3-aminopropoxy)-N-[3-(3-methylbutoxy)propyl]butan-1-amine

4-(3-aminopropoxy)-N-[3-(3-methylbutoxy)propyl]butan-1-amine (PubChem CID 57194554) has the molecular formula C15H34N2O2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 4-(3-aminopropoxy)-N-[3-(3-methylbutoxy)propyl]butan-1-amine.

Molecular Properties

Compound Name4-(3-aminopropoxy)-N-[3-(3-methylbutoxy)propyl]butan-1-amine
PubChem CID57194554
Molecular FormulaC15H34N2O2
Molecular Weight274.45 g/mol
Exact Mass274.26
IUPAC Name4-(3-aminopropoxy)-N-[3-(3-methylbutoxy)propyl]butan-1-amine
SMILESCC(C)CCOCCCNCCCCOCCCN
InChIInChI=1S/C15H34N2O2/c1-15(2)7-14-19-13-6-10-17-9-3-4-11-18-12-5-8-16/h15,17H,3-14,16H2,1-2H3
InChIKeyXUFBGTDPCMANDQ-UHFFFAOYSA-N
XLogP2.17
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 52.17
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

N'-[4-(3-methylbutoxy)butoxymethyl]octane-1,8-diamine
CID 156819608
5-methyl-N-[3-(4-methylpentoxy)propyl]hexan-1-amine
CID 163400443
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pentan-1-amine
CID 175309381
3-[2-(4-methylpentoxy)ethoxy]propan-1-amine
CID 155228800
N-[2-(3-methylbutoxy)ethyl]pentan-1-amine
CID 61483947
N-(2-methoxyethyl)-4-(4-methylpentoxy)butan-1-amine
CID 62597263
3-[5-(3-aminopropoxy)-3-methylpentoxy]propan-1-amine
CID 6454523
4-(4-methylpentoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456980
5-chloro-N-[2-(3-methylbutoxy)ethyl]pentan-1-amine
CID 107319913
4-[4-(ethylamino)butoxy]butan-1-amine
CID 163399899
2-[3-(3-methylbutylamino)propoxy]ethanol
CID 103578781
N-[2-[2-(3-aminopropoxy)ethoxy]ethyl]-2-methylpropan-1-amine
CID 171539596

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropoxy)-N-[3-(3-methylbutoxy)propyl]butan-1-amine?
The IUPAC name of 4-(3-aminopropoxy)-N-[3-(3-methylbutoxy)propyl]butan-1-amine (CID 57194554) is 4-(3-aminopropoxy)-N-[3-(3-methylbutoxy)propyl]butan-1-amine.
What is the SMILES notation for 4-(3-aminopropoxy)-N-[3-(3-methylbutoxy)propyl]butan-1-amine?
The canonical SMILES for 4-(3-aminopropoxy)-N-[3-(3-methylbutoxy)propyl]butan-1-amine is CC(C)CCOCCCNCCCCOCCCN.
What is the InChIKey of 4-(3-aminopropoxy)-N-[3-(3-methylbutoxy)propyl]butan-1-amine?
The InChIKey is XUFBGTDPCMANDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O2/c1-15(2)7-14-19-13-6-10-17-9-3-4-11-18-12-5-8-16/h15,17H,3-14,16H2,1-2H3.
What are the key properties of 4-(3-aminopropoxy)-N-[3-(3-methylbutoxy)propyl]butan-1-amine?
4-(3-aminopropoxy)-N-[3-(3-methylbutoxy)propyl]butan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 2.17, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropoxy)-N-[3-(3-methylbutoxy)propyl]butan-1-amine is sourced from PubChem (CID 57194554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).