(2S)-1-amino-3-(azonan-1-yl)propan-2-ol

C11H24N2O — CID 131048167

IUPAC(2S)-1-amino-3-(azonan-1-yl)propan-2-ol
SMILESNC[C@H](O)CN1CCCCCCCC1
InChIInChI=1S/C11H24N2O/c12-9-11(14)10-13-7-5-3-1-2-4-6-8-13/h11,14H,1-10,12H2/t11-/m0/s1
InChIKeyVHGDDWRLGSIFBK-NSHDSACASA-N
MW200.33 g/mol
LogP0.96
Rot. Bonds3

About (2S)-1-amino-3-(azonan-1-yl)propan-2-ol

(2S)-1-amino-3-(azonan-1-yl)propan-2-ol (PubChem CID 131048167) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is (2S)-1-amino-3-(azonan-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-amino-3-(azonan-1-yl)propan-2-ol
PubChem CID131048167
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(2S)-1-amino-3-(azonan-1-yl)propan-2-ol
SMILESNC[C@H](O)CN1CCCCCCCC1
InChIInChI=1S/C11H24N2O/c12-9-11(14)10-13-7-5-3-1-2-4-6-8-13/h11,14H,1-10,12H2/t11-/m0/s1
InChIKeyVHGDDWRLGSIFBK-NSHDSACASA-N
XLogP0.96
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(azonan-1-yl)propan-2-ol
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1,3-dipyrrolidin-1-ylpropan-2-ol
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1-(azonan-1-yl)butan-2-ol
CID 130671766
2-fluoro-3-piperidin-1-ylpropan-1-amine
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[4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-cyclohexylmethanone
CID 82023468
1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol
CID 20604768
1-amino-3-(4-propan-2-ylpiperidin-1-yl)propan-2-ol
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2-[4-(3-amino-2-hydroxypropyl)-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;gadolinium
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Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-3-(azonan-1-yl)propan-2-ol?
The IUPAC name of (2S)-1-amino-3-(azonan-1-yl)propan-2-ol (CID 131048167) is (2S)-1-amino-3-(azonan-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-amino-3-(azonan-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1-amino-3-(azonan-1-yl)propan-2-ol is NC[C@H](O)CN1CCCCCCCC1.
What is the InChIKey of (2S)-1-amino-3-(azonan-1-yl)propan-2-ol?
The InChIKey is VHGDDWRLGSIFBK-NSHDSACASA-N. The full InChI is InChI=1S/C11H24N2O/c12-9-11(14)10-13-7-5-3-1-2-4-6-8-13/h11,14H,1-10,12H2/t11-/m0/s1.
What are the key properties of (2S)-1-amino-3-(azonan-1-yl)propan-2-ol?
(2S)-1-amino-3-(azonan-1-yl)propan-2-ol has a molecular weight of 200.33 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-amino-3-(azonan-1-yl)propan-2-ol is sourced from PubChem (CID 131048167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).