(2S)-1-amino-5-cyclohexa-1,5-dien-1-ylpentan-2-ol

C11H19NO — CID 142016559

IUPAC(2S)-1-amino-5-cyclohexa-1,5-dien-1-ylpentan-2-ol
SMILESNC[C@@H](O)CCCC1=CCCC=C1
InChIInChI=1S/C11H19NO/c12-9-11(13)8-4-7-10-5-2-1-3-6-10/h2,5-6,11,13H,1,3-4,7-9,12H2/t11-/m0/s1
InChIKeyAWWHYCBGPUNUCC-NSHDSACASA-N
MW181.28 g/mol
LogP1.75
Rot. Bonds5

About (2S)-1-amino-5-cyclohexa-1,5-dien-1-ylpentan-2-ol

(2S)-1-amino-5-cyclohexa-1,5-dien-1-ylpentan-2-ol (PubChem CID 142016559) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (2S)-1-amino-5-cyclohexa-1,5-dien-1-ylpentan-2-ol.

Molecular Properties

Compound Name(2S)-1-amino-5-cyclohexa-1,5-dien-1-ylpentan-2-ol
PubChem CID142016559
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(2S)-1-amino-5-cyclohexa-1,5-dien-1-ylpentan-2-ol
SMILESNC[C@@H](O)CCCC1=CCCC=C1
InChIInChI=1S/C11H19NO/c12-9-11(13)8-4-7-10-5-2-1-3-6-10/h2,5-6,11,13H,1,3-4,7-9,12H2/t11-/m0/s1
InChIKeyAWWHYCBGPUNUCC-NSHDSACASA-N
XLogP1.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

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CID 44424869
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CID 44272142
Arachidonylethanolamine
CID 129675540
3-Amino-6-ethylidene-1,1,1-trifluoronon-7-en-2-ol
CID 91559581
2-Amino-11,13-tetradecadien-3-ol
CID 72738941
2-Aminododec-8-en-3-ol
CID 162954272
2-Amino-2-cyclohexa-1,3-dien-1-ylethanol
CID 58695465
(1S,2R)-2-amino-1-cyclohexa-1,3-dien-1-ylpropan-1-ol
CID 68242647
(4Z)-1-amino-4-(3-methylcyclohexa-1,5-dien-1-yl)hepta-4,6-dien-1-ol
CID 88903986
2-Amino-3-cyclohexa-1,3-dien-1-ylpropan-1-ol
CID 88988439
(5Z,7Z)-5-(3-aminopropyl)-4-methylidenenona-5,7-dien-1-ol
CID 89050113

Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-5-cyclohexa-1,5-dien-1-ylpentan-2-ol?
The IUPAC name of (2S)-1-amino-5-cyclohexa-1,5-dien-1-ylpentan-2-ol (CID 142016559) is (2S)-1-amino-5-cyclohexa-1,5-dien-1-ylpentan-2-ol.
What is the SMILES notation for (2S)-1-amino-5-cyclohexa-1,5-dien-1-ylpentan-2-ol?
The canonical SMILES for (2S)-1-amino-5-cyclohexa-1,5-dien-1-ylpentan-2-ol is NC[C@@H](O)CCCC1=CCCC=C1.
What is the InChIKey of (2S)-1-amino-5-cyclohexa-1,5-dien-1-ylpentan-2-ol?
The InChIKey is AWWHYCBGPUNUCC-NSHDSACASA-N. The full InChI is InChI=1S/C11H19NO/c12-9-11(13)8-4-7-10-5-2-1-3-6-10/h2,5-6,11,13H,1,3-4,7-9,12H2/t11-/m0/s1.
What are the key properties of (2S)-1-amino-5-cyclohexa-1,5-dien-1-ylpentan-2-ol?
(2S)-1-amino-5-cyclohexa-1,5-dien-1-ylpentan-2-ol has a molecular weight of 181.28 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-amino-5-cyclohexa-1,5-dien-1-ylpentan-2-ol is sourced from PubChem (CID 142016559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).