2,7-diaminononan-1-ol

C9H22N2O — CID 141295191

IUPAC2,7-diaminononan-1-ol
SMILESCCC(N)CCCCC(N)CO
InChIInChI=1S/C9H22N2O/c1-2-8(10)5-3-4-6-9(11)7-12/h8-9,12H,2-7,10-11H2,1H3
InChIKeyAEQORIAWLAZUQH-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.60
Rot. Bonds7

About 2,7-diaminononan-1-ol

2,7-diaminononan-1-ol (PubChem CID 141295191) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 2,7-diaminononan-1-ol.

Molecular Properties

Compound Name2,7-diaminononan-1-ol
PubChem CID141295191
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name2,7-diaminononan-1-ol
SMILESCCC(N)CCCCC(N)CO
InChIInChI=1S/C9H22N2O/c1-2-8(10)5-3-4-6-9(11)7-12/h8-9,12H,2-7,10-11H2,1H3
InChIKeyAEQORIAWLAZUQH-UHFFFAOYSA-N
XLogP0.60
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.60
H-Bond Donors ≤ 53
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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CID 87201322
(2S)-2-aminoundecan-1-ol
CID 98129192
tridecan-3-amine
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tritriactan-3-amine;hydrochloride
CID 173389490
tetradecane-3,11-diamine
CID 170279817
tetradecan-3-amine;hydrobromide
CID 173393490
2-aminoheptane-1,5-diol
CID 130023350
2-amino-6,6-dimethylheptan-1-ol
CID 88746496
acetic acid;decan-3-amine
CID 87798591
(2S)-2,6-diaminohexan-1-ol;propane-1,2-diol
CID 172771084
acetic acid;henicosan-3-amine
CID 174717408
(2R)-2-amino-5-(diethylamino)pentan-1-ol
CID 131859240

Frequently Asked Questions

What is the IUPAC name of 2,7-diaminononan-1-ol?
The IUPAC name of 2,7-diaminononan-1-ol (CID 141295191) is 2,7-diaminononan-1-ol.
What is the SMILES notation for 2,7-diaminononan-1-ol?
The canonical SMILES for 2,7-diaminononan-1-ol is CCC(N)CCCCC(N)CO.
What is the InChIKey of 2,7-diaminononan-1-ol?
The InChIKey is AEQORIAWLAZUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-2-8(10)5-3-4-6-9(11)7-12/h8-9,12H,2-7,10-11H2,1H3.
What are the key properties of 2,7-diaminononan-1-ol?
2,7-diaminononan-1-ol has a molecular weight of 174.29 g/mol, XLogP of 0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diaminononan-1-ol is sourced from PubChem (CID 141295191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).