(2R,3S)-2-[benzyl(methyl)amino]-3-methylhex-5-en-3-ol

C15H23NO — CID 178185650

IUPAC(2R,3S)-2-[benzyl(methyl)amino]-3-methylhex-5-en-3-ol
SMILESC=CC[C@](C)(O)[C@@H](C)N(C)Cc1ccccc1
InChIInChI=1S/C15H23NO/c1-5-11-15(3,17)13(2)16(4)12-14-9-7-6-8-10-14/h5-10,13,17H,1,11-12H2,2-4H3/t13-,15+/m1/s1
InChIKeySFVOGHRRGHJXBM-HIFRSBDPSA-N
MW233.36 g/mol
LogP2.83
Rot. Bonds6

About (2R,3S)-2-[benzyl(methyl)amino]-3-methylhex-5-en-3-ol

(2R,3S)-2-[benzyl(methyl)amino]-3-methylhex-5-en-3-ol (PubChem CID 178185650) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (2R,3S)-2-[benzyl(methyl)amino]-3-methylhex-5-en-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-[benzyl(methyl)amino]-3-methylhex-5-en-3-ol
PubChem CID178185650
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(2R,3S)-2-[benzyl(methyl)amino]-3-methylhex-5-en-3-ol
SMILESC=CC[C@](C)(O)[C@@H](C)N(C)Cc1ccccc1
InChIInChI=1S/C15H23NO/c1-5-11-15(3,17)13(2)16(4)12-14-9-7-6-8-10-14/h5-10,13,17H,1,11-12H2,2-4H3/t13-,15+/m1/s1
InChIKeySFVOGHRRGHJXBM-HIFRSBDPSA-N
XLogP2.83
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 ≤ 52.83
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

3-[benzyl(methyl)amino]-2-methylbutan-2-ol
CID 130666424
(2R,3S)-2-(N-ethylanilino)-3-methylhex-5-en-3-ol
CID 178185639
(2R,3S)-2-(N-benzylanilino)-3-ethylhex-5-en-3-ol
CID 178185677
(2R,3S)-2-[N-(2-methoxyethyl)anilino]-3-methylhex-5-en-3-ol
CID 178185644
2-[benzyl(methyl)amino]but-3-enoic acid
CID 130492243
N-benzyl-N,2,2-trimethylbut-3-en-1-amine
CID 101149207
N-benzyl-N-methylbutan-2-amine
CID 15496809
(1S)-N-benzyl-N-methyl-1-phenylethanamine
CID 122522292
N-benzyl-N-methyl-1-phenylpropan-2-amine
CID 2341
N-benzyl-N-ethenylpropan-2-amine
CID 67948019
N-benzyl-2-methyl-N-prop-2-enylpropan-2-amine;hydrochloride
CID 173049052
2-[2-[benzyl(methyl)amino]propyl]-1-ethyl-3-prop-2-enylguanidine
CID 111779424

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[benzyl(methyl)amino]-3-methylhex-5-en-3-ol?
The IUPAC name of (2R,3S)-2-[benzyl(methyl)amino]-3-methylhex-5-en-3-ol (CID 178185650) is (2R,3S)-2-[benzyl(methyl)amino]-3-methylhex-5-en-3-ol.
What is the SMILES notation for (2R,3S)-2-[benzyl(methyl)amino]-3-methylhex-5-en-3-ol?
The canonical SMILES for (2R,3S)-2-[benzyl(methyl)amino]-3-methylhex-5-en-3-ol is C=CC[C@](C)(O)[C@@H](C)N(C)Cc1ccccc1.
What is the InChIKey of (2R,3S)-2-[benzyl(methyl)amino]-3-methylhex-5-en-3-ol?
The InChIKey is SFVOGHRRGHJXBM-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-11-15(3,17)13(2)16(4)12-14-9-7-6-8-10-14/h5-10,13,17H,1,11-12H2,2-4H3/t13-,15+/m1/s1.
What are the key properties of (2R,3S)-2-[benzyl(methyl)amino]-3-methylhex-5-en-3-ol?
(2R,3S)-2-[benzyl(methyl)amino]-3-methylhex-5-en-3-ol has a molecular weight of 233.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[benzyl(methyl)amino]-3-methylhex-5-en-3-ol is sourced from PubChem (CID 178185650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).