(2S)-2,5-diaminopentan-1-ol

C5H14N2O — CID 42626534

IUPAC(2S)-2,5-diaminopentan-1-ol
SMILESNCCC[C@H](N)CO
InChIInChI=1S/C5H14N2O/c6-3-1-2-5(7)4-8/h5,8H,1-4,6-7H2/t5-/m0/s1
InChIKeyUHHATRNUKJGRBN-YFKPBYRVSA-N
MW118.18 g/mol
LogP-0.96
Rot. Bonds4

About (2S)-2,5-diaminopentan-1-ol

(2S)-2,5-diaminopentan-1-ol (PubChem CID 42626534) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is (2S)-2,5-diaminopentan-1-ol.

Molecular Properties

Compound Name(2S)-2,5-diaminopentan-1-ol
PubChem CID42626534
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC Name(2S)-2,5-diaminopentan-1-ol
SMILESNCCC[C@H](N)CO
InChIInChI=1S/C5H14N2O/c6-3-1-2-5(7)4-8/h5,8H,1-4,6-7H2/t5-/m0/s1
InChIKeyUHHATRNUKJGRBN-YFKPBYRVSA-N
XLogP-0.96
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 249006
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CID 5324727
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CID 143443
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CID 6951248
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CID 6994402
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CID 44309478
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CID 12886904
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Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-diaminopentan-1-ol?
The IUPAC name of (2S)-2,5-diaminopentan-1-ol (CID 42626534) is (2S)-2,5-diaminopentan-1-ol.
What is the SMILES notation for (2S)-2,5-diaminopentan-1-ol?
The canonical SMILES for (2S)-2,5-diaminopentan-1-ol is NCCC[C@H](N)CO.
What is the InChIKey of (2S)-2,5-diaminopentan-1-ol?
The InChIKey is UHHATRNUKJGRBN-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H14N2O/c6-3-1-2-5(7)4-8/h5,8H,1-4,6-7H2/t5-/m0/s1.
What are the key properties of (2S)-2,5-diaminopentan-1-ol?
(2S)-2,5-diaminopentan-1-ol has a molecular weight of 118.18 g/mol, XLogP of -0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-diaminopentan-1-ol is sourced from PubChem (CID 42626534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).