(2S)-2,6-diaminohexan-1-ol;propane-1,2-diol

C9H24N2O3 — CID 172771084

IUPAC(2S)-2,6-diaminohexan-1-ol;propane-1,2-diol
SMILESCC(O)CO.NCCCC[C@H](N)CO
InChIInChI=1S/C6H16N2O.C3H8O2/c7-4-2-1-3-6(8)5-9;1-3(5)2-4/h6,9H,1-5,7-8H2;3-5H,2H2,1H3/t6-;/m0./s1
InChIKeyMYPAEIGHLDOPLZ-RGMNGODLSA-N
MW208.30 g/mol
LogP-1.21
Rot. Bonds6

About (2S)-2,6-diaminohexan-1-ol;propane-1,2-diol

(2S)-2,6-diaminohexan-1-ol;propane-1,2-diol (PubChem CID 172771084) has the molecular formula C9H24N2O3 and a molecular weight of 208.30 g/mol. Its IUPAC name is (2S)-2,6-diaminohexan-1-ol;propane-1,2-diol.

Molecular Properties

Compound Name(2S)-2,6-diaminohexan-1-ol;propane-1,2-diol
PubChem CID172771084
Molecular FormulaC9H24N2O3
Molecular Weight208.30 g/mol
Exact Mass208.18
IUPAC Name(2S)-2,6-diaminohexan-1-ol;propane-1,2-diol
SMILESCC(O)CO.NCCCC[C@H](N)CO
InChIInChI=1S/C6H16N2O.C3H8O2/c7-4-2-1-3-6(8)5-9;1-3(5)2-4/h6,9H,1-5,7-8H2;3-5H,2H2,1H3/t6-;/m0./s1
InChIKeyMYPAEIGHLDOPLZ-RGMNGODLSA-N
XLogP-1.21
TPSA112.73 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 5-1.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diamine;tetrakis(propane-1,2-diol)
CID 19100522
pentacosane-1,13,25-triamine
CID 174653759
2-aminononadecan-1-ol
CID 87201322
(2S)-2-aminoundecan-1-ol
CID 98129192
2,7-diaminononan-1-ol
CID 141295191
1,6-diaminohexan-1-ol
CID 57008257
(8S)-nonane-1,8-diamine
CID 87205838
decane-1,9-diamine
CID 23448369
undecane-1,10-diamine
CID 140782210
octane-1,4,8-triamine
CID 18544198
36-methylheptatriacontan-1-amine
CID 134324173
14-aminotetradecane-1,1-diol
CID 87370531

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diaminohexan-1-ol;propane-1,2-diol?
The IUPAC name of (2S)-2,6-diaminohexan-1-ol;propane-1,2-diol (CID 172771084) is (2S)-2,6-diaminohexan-1-ol;propane-1,2-diol.
What is the SMILES notation for (2S)-2,6-diaminohexan-1-ol;propane-1,2-diol?
The canonical SMILES for (2S)-2,6-diaminohexan-1-ol;propane-1,2-diol is CC(O)CO.NCCCC[C@H](N)CO.
What is the InChIKey of (2S)-2,6-diaminohexan-1-ol;propane-1,2-diol?
The InChIKey is MYPAEIGHLDOPLZ-RGMNGODLSA-N. The full InChI is InChI=1S/C6H16N2O.C3H8O2/c7-4-2-1-3-6(8)5-9;1-3(5)2-4/h6,9H,1-5,7-8H2;3-5H,2H2,1H3/t6-;/m0./s1.
What are the key properties of (2S)-2,6-diaminohexan-1-ol;propane-1,2-diol?
(2S)-2,6-diaminohexan-1-ol;propane-1,2-diol has a molecular weight of 208.30 g/mol, XLogP of -1.21, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diaminohexan-1-ol;propane-1,2-diol is sourced from PubChem (CID 172771084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).