(2S,3S)-2-(dimethylamino)hex-5-en-3-ol

C8H17NO — CID 10654323

IUPAC(2S,3S)-2-(dimethylamino)hex-5-en-3-ol
SMILESC=CC[C@H](O)[C@H](C)N(C)C
InChIInChI=1S/C8H17NO/c1-5-6-8(10)7(2)9(3)4/h5,7-8,10H,1,6H2,2-4H3/t7-,8-/m0/s1
InChIKeyIXLFNENDGVNTES-YUMQZZPRSA-N
MW143.23 g/mol
LogP0.87
Rot. Bonds4

About (2S,3S)-2-(dimethylamino)hex-5-en-3-ol

(2S,3S)-2-(dimethylamino)hex-5-en-3-ol (PubChem CID 10654323) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (2S,3S)-2-(dimethylamino)hex-5-en-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-(dimethylamino)hex-5-en-3-ol
PubChem CID10654323
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(2S,3S)-2-(dimethylamino)hex-5-en-3-ol
SMILESC=CC[C@H](O)[C@H](C)N(C)C
InChIInChI=1S/C8H17NO/c1-5-6-8(10)7(2)9(3)4/h5,7-8,10H,1,6H2,2-4H3/t7-,8-/m0/s1
InChIKeyIXLFNENDGVNTES-YUMQZZPRSA-N
XLogP0.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pnbjiikqmleddu-uhfffaoysa-
CID 23269102
1-[Di(propan-2-yl)amino]hex-5-en-2-ol
CID 22975448
1-[Di(propan-2-yl)amino]oct-7-en-2-ol
CID 22975453
3-[Di(propan-2-yl)amino]pent-4-en-2-ol
CID 22975490
(E,2S,3R)-3-(diethylamino)hex-4-en-2-ol
CID 59083595
N-ethyl-N-[(2S)-3-hydroxyhex-5-en-2-yl]acetamide
CID 59963017
1-(Dimethylamino)hex-5-en-2-ol
CID 79087203
1-[1-Hydroxyethyl(methyl)amino]pent-4-en-2-ol
CID 88489095
1-[Bis(prop-2-enyl)amino]pent-4-en-2-ol
CID 88505306
1-[2-Hydroxyethyl(methyl)amino]pent-4-en-2-ol
CID 88659961
1-[Bis(2-hydroxyethyl)amino]pent-4-en-2-ol
CID 88660341
1-[Bis(1-hydroxyethyl)amino]pent-4-en-2-ol
CID 88660342

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(dimethylamino)hex-5-en-3-ol?
The IUPAC name of (2S,3S)-2-(dimethylamino)hex-5-en-3-ol (CID 10654323) is (2S,3S)-2-(dimethylamino)hex-5-en-3-ol.
What is the SMILES notation for (2S,3S)-2-(dimethylamino)hex-5-en-3-ol?
The canonical SMILES for (2S,3S)-2-(dimethylamino)hex-5-en-3-ol is C=CC[C@H](O)[C@H](C)N(C)C.
What is the InChIKey of (2S,3S)-2-(dimethylamino)hex-5-en-3-ol?
The InChIKey is IXLFNENDGVNTES-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-6-8(10)7(2)9(3)4/h5,7-8,10H,1,6H2,2-4H3/t7-,8-/m0/s1.
What are the key properties of (2S,3S)-2-(dimethylamino)hex-5-en-3-ol?
(2S,3S)-2-(dimethylamino)hex-5-en-3-ol has a molecular weight of 143.23 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(dimethylamino)hex-5-en-3-ol is sourced from PubChem (CID 10654323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).