3-(1-amino-2-methylnonan-2-yl)oxypropan-1-ol

C13H29NO2 — CID 103377362

IUPAC3-(1-amino-2-methylnonan-2-yl)oxypropan-1-ol
SMILESCCCCCCCC(C)(CN)OCCCO
InChIInChI=1S/C13H29NO2/c1-3-4-5-6-7-9-13(2,12-14)16-11-8-10-15/h15H,3-12,14H2,1-2H3
InChIKeyGGALSRSZWPRVHZ-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.46
Rot. Bonds11

About 3-(1-amino-2-methylnonan-2-yl)oxypropan-1-ol

3-(1-amino-2-methylnonan-2-yl)oxypropan-1-ol (PubChem CID 103377362) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-(1-amino-2-methylnonan-2-yl)oxypropan-1-ol.

Molecular Properties

Compound Name3-(1-amino-2-methylnonan-2-yl)oxypropan-1-ol
PubChem CID103377362
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name3-(1-amino-2-methylnonan-2-yl)oxypropan-1-ol
SMILESCCCCCCCC(C)(CN)OCCCO
InChIInChI=1S/C13H29NO2/c1-3-4-5-6-7-9-13(2,12-14)16-11-8-10-15/h15H,3-12,14H2,1-2H3
InChIKeyGGALSRSZWPRVHZ-UHFFFAOYSA-N
XLogP2.46
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2-methylnonan-2-yl)oxypropan-1-ol?
The IUPAC name of 3-(1-amino-2-methylnonan-2-yl)oxypropan-1-ol (CID 103377362) is 3-(1-amino-2-methylnonan-2-yl)oxypropan-1-ol.
What is the SMILES notation for 3-(1-amino-2-methylnonan-2-yl)oxypropan-1-ol?
The canonical SMILES for 3-(1-amino-2-methylnonan-2-yl)oxypropan-1-ol is CCCCCCCC(C)(CN)OCCCO.
What is the InChIKey of 3-(1-amino-2-methylnonan-2-yl)oxypropan-1-ol?
The InChIKey is GGALSRSZWPRVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-3-4-5-6-7-9-13(2,12-14)16-11-8-10-15/h15H,3-12,14H2,1-2H3.
What are the key properties of 3-(1-amino-2-methylnonan-2-yl)oxypropan-1-ol?
3-(1-amino-2-methylnonan-2-yl)oxypropan-1-ol has a molecular weight of 231.38 g/mol, XLogP of 2.46, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2-methylnonan-2-yl)oxypropan-1-ol is sourced from PubChem (CID 103377362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).