(2R,3S)-2-(N-ethylanilino)-3-methylhex-5-en-3-ol

C15H23NO — CID 178185639

IUPAC(2R,3S)-2-(N-ethylanilino)-3-methylhex-5-en-3-ol
SMILESC=CC[C@](C)(O)[C@@H](C)N(CC)c1ccccc1
InChIInChI=1S/C15H23NO/c1-5-12-15(4,17)13(3)16(6-2)14-10-8-7-9-11-14/h5,7-11,13,17H,1,6,12H2,2-4H3/t13-,15+/m1/s1
InChIKeyWFFPLGDCPZHHOM-HIFRSBDPSA-N
MW233.36 g/mol
LogP3.23
Rot. Bonds6

About (2R,3S)-2-(N-ethylanilino)-3-methylhex-5-en-3-ol

(2R,3S)-2-(N-ethylanilino)-3-methylhex-5-en-3-ol (PubChem CID 178185639) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (2R,3S)-2-(N-ethylanilino)-3-methylhex-5-en-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-(N-ethylanilino)-3-methylhex-5-en-3-ol
PubChem CID178185639
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(2R,3S)-2-(N-ethylanilino)-3-methylhex-5-en-3-ol
SMILESC=CC[C@](C)(O)[C@@H](C)N(CC)c1ccccc1
InChIInChI=1S/C15H23NO/c1-5-12-15(4,17)13(3)16(6-2)14-10-8-7-9-11-14/h5,7-11,13,17H,1,6,12H2,2-4H3/t13-,15+/m1/s1
InChIKeyWFFPLGDCPZHHOM-HIFRSBDPSA-N
XLogP3.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.23
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

(2R,3S)-2-[N-(2-methoxyethyl)anilino]-3-methylhex-5-en-3-ol
CID 178185644
(2R,3S)-2-[benzyl(methyl)amino]-3-methylhex-5-en-3-ol
CID 178185650
(2R,3S)-2-(N-benzylanilino)-3-ethylhex-5-en-3-ol
CID 178185677
(2R,3S)-2-[N-(4-hydroxybutyl)-4-methoxyanilino]-3-methylhex-5-en-3-ol
CID 178185645
(2S)-2-(N-ethylanilino)pent-4-enoic acid
CID 67199848
N-ethyl-N-pent-1-en-3-ylaniline
CID 141318240
2-(N-hydroxyanilino)-2-methylpent-4-en-1-ol
CID 86253391
2-(N-propan-2-ylanilino)ethane-1,1,1-triol
CID 54242870
N-ethyl-N-methyl-2-phenylpent-4-en-2-amine
CID 174778712
N-[(1S)-1-phenylethyl]-N-prop-2-enylaniline
CID 93477605
(2R,3S)-2-(benzimidazol-1-yl)-3-methylhex-5-en-3-ol
CID 178185665
1-N-tert-butyl-2-N-ethyl-2-N-phenylbutane-1,2-diamine
CID 62424673

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(N-ethylanilino)-3-methylhex-5-en-3-ol?
The IUPAC name of (2R,3S)-2-(N-ethylanilino)-3-methylhex-5-en-3-ol (CID 178185639) is (2R,3S)-2-(N-ethylanilino)-3-methylhex-5-en-3-ol.
What is the SMILES notation for (2R,3S)-2-(N-ethylanilino)-3-methylhex-5-en-3-ol?
The canonical SMILES for (2R,3S)-2-(N-ethylanilino)-3-methylhex-5-en-3-ol is C=CC[C@](C)(O)[C@@H](C)N(CC)c1ccccc1.
What is the InChIKey of (2R,3S)-2-(N-ethylanilino)-3-methylhex-5-en-3-ol?
The InChIKey is WFFPLGDCPZHHOM-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-12-15(4,17)13(3)16(6-2)14-10-8-7-9-11-14/h5,7-11,13,17H,1,6,12H2,2-4H3/t13-,15+/m1/s1.
What are the key properties of (2R,3S)-2-(N-ethylanilino)-3-methylhex-5-en-3-ol?
(2R,3S)-2-(N-ethylanilino)-3-methylhex-5-en-3-ol has a molecular weight of 233.36 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(N-ethylanilino)-3-methylhex-5-en-3-ol is sourced from PubChem (CID 178185639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).