3-[5-(3-aminopropoxy)-3-methylpentoxy]propan-1-amine

C12H28N2O2 — CID 6454523

IUPAC3-[5-(3-aminopropoxy)-3-methylpentoxy]propan-1-amine
SMILESCC(CCOCCCN)CCOCCCN
InChIInChI=1S/C12H28N2O2/c1-12(4-10-15-8-2-6-13)5-11-16-9-3-7-14/h12H,2-11,13-14H2,1H3
InChIKeyYAGKYVUYEIAZDQ-UHFFFAOYSA-N
MW232.37 g/mol
LogP1.13
Rot. Bonds12

About 3-[5-(3-aminopropoxy)-3-methylpentoxy]propan-1-amine

3-[5-(3-aminopropoxy)-3-methylpentoxy]propan-1-amine (PubChem CID 6454523) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-[5-(3-aminopropoxy)-3-methylpentoxy]propan-1-amine.

Molecular Properties

Compound Name3-[5-(3-aminopropoxy)-3-methylpentoxy]propan-1-amine
PubChem CID6454523
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC Name3-[5-(3-aminopropoxy)-3-methylpentoxy]propan-1-amine
SMILESCC(CCOCCCN)CCOCCCN
InChIInChI=1S/C12H28N2O2/c1-12(4-10-15-8-2-6-13)5-11-16-9-3-7-14/h12H,2-11,13-14H2,1H3
InChIKeyYAGKYVUYEIAZDQ-UHFFFAOYSA-N
XLogP1.13
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 51.13
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

3-(3,6,8-trimethyldecoxy)propan-1-amine
CID 146184541
3-[2-(4-methylpentoxy)ethoxy]propan-1-amine
CID 155228800
3-(3-aminopropoxy)propan-1-amine;ethane
CID 23031033
1-[3-[3-(3,7-dimethyloctoxy)propoxy]propoxy]-3,7-dimethyloctane
CID 58682905
5-ethoxy-3-methylpentan-1-amine
CID 87063287
3-[3-(2-methoxyethoxy)butoxy]propan-1-amine
CID 152877442
4-(3-aminopropoxy)-N-[3-(3-methylbutoxy)propyl]butan-1-amine
CID 57194554
3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine
CID 118897120
3-[3-(3-aminopropoxy)pentoxy]propan-1-amine
CID 57073090
3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-trimethylsilylpropan-1-amine
CID 175544942
1-[3-(3-aminopropoxy)propoxy]propan-2-amine
CID 138696383
3-(2-butan-2-yloxyethoxy)propan-1-amine
CID 88947745

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-aminopropoxy)-3-methylpentoxy]propan-1-amine?
The IUPAC name of 3-[5-(3-aminopropoxy)-3-methylpentoxy]propan-1-amine (CID 6454523) is 3-[5-(3-aminopropoxy)-3-methylpentoxy]propan-1-amine.
What is the SMILES notation for 3-[5-(3-aminopropoxy)-3-methylpentoxy]propan-1-amine?
The canonical SMILES for 3-[5-(3-aminopropoxy)-3-methylpentoxy]propan-1-amine is CC(CCOCCCN)CCOCCCN.
What is the InChIKey of 3-[5-(3-aminopropoxy)-3-methylpentoxy]propan-1-amine?
The InChIKey is YAGKYVUYEIAZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-12(4-10-15-8-2-6-13)5-11-16-9-3-7-14/h12H,2-11,13-14H2,1H3.
What are the key properties of 3-[5-(3-aminopropoxy)-3-methylpentoxy]propan-1-amine?
3-[5-(3-aminopropoxy)-3-methylpentoxy]propan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 1.13, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-aminopropoxy)-3-methylpentoxy]propan-1-amine is sourced from PubChem (CID 6454523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).