(2R,3R,4R,5S)-6-[[4-(dimethylamino)phenyl]methylideneamino]hexane-1,2,3,4,5-pentol

C15H24N2O5 — CID 53381828

IUPAC(2R,3R,4R,5S)-6-[[4-(dimethylamino)phenyl]methylideneamino]hexane-1,2,3,4,5-pentol
SMILESCN(C)c1ccc(/C=N/C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1
InChIInChI=1S/C15H24N2O5/c1-17(2)11-5-3-10(4-6-11)7-16-8-12(19)14(21)15(22)13(20)9-18/h3-7,12-15,18-22H,8-9H2,1-2H3/b16-7+/t12-,13+,14+,15+/m0/s1
InChIKeyBQRPJNLMDQOKOE-IZRWYQKESA-N
MW312.37 g/mol
LogP-1.39
Rot. Bonds8

About (2R,3R,4R,5S)-6-[[4-(dimethylamino)phenyl]methylideneamino]hexane-1,2,3,4,5-pentol

(2R,3R,4R,5S)-6-[[4-(dimethylamino)phenyl]methylideneamino]hexane-1,2,3,4,5-pentol (PubChem CID 53381828) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2R,3R,4R,5S)-6-[[4-(dimethylamino)phenyl]methylideneamino]hexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-6-[[4-(dimethylamino)phenyl]methylideneamino]hexane-1,2,3,4,5-pentol
PubChem CID53381828
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Name(2R,3R,4R,5S)-6-[[4-(dimethylamino)phenyl]methylideneamino]hexane-1,2,3,4,5-pentol
SMILESCN(C)c1ccc(/C=N/C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1
InChIInChI=1S/C15H24N2O5/c1-17(2)11-5-3-10(4-6-11)7-16-8-12(19)14(21)15(22)13(20)9-18/h3-7,12-15,18-22H,8-9H2,1-2H3/b16-7+/t12-,13+,14+,15+/m0/s1
InChIKeyBQRPJNLMDQOKOE-IZRWYQKESA-N
XLogP-1.39
TPSA116.75 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 5-1.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (2R,3R,4R,5S)-6-[[4-(dimethylamino)phenyl]methylideneamino]hexane-1,2,3,4,5-pentol with MolForge

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Related Compounds

(2S,3S,4R,5S)-3,4,5,6-tetrahydroxy-2-[(4-methoxyphenyl)methylideneamino]hexanal
CID 125473879
4-(decyliminomethyl)-N,N-dimethylaniline
CID 160905349
4-[(E)-2-[4-[bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 99649280
3-[4-(dimethylamino)phenyl]prop-2-en-1-ol
CID 53395716
4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline
CID 3748752
(3R,4S,5R)-3,4,5,6-tetrahydroxy-N-[(4-methoxyphenyl)methylidene]hexanamide
CID 139626521
1-[4-(dimethylamino)phenyl]-2-[[3-[[2-[4-(dimethylamino)phenyl]-2-oxoethyl]iminomethyl]-5-methoxyphenyl]methylideneamino]ethanone
CID 159822697
CID 102273448
CID 102273448
N-[(Z)-(4-chlorophenyl)methylideneamino]-2,3,4,5,6-pentahydroxyhexanamide
CID 6060051
4-[[8-[[4-(dimethylamino)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-N,N-dimethylaniline
CID 172965274
1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]urea
CID 5355984
4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline
CID 154979865

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-6-[[4-(dimethylamino)phenyl]methylideneamino]hexane-1,2,3,4,5-pentol?
The IUPAC name of (2R,3R,4R,5S)-6-[[4-(dimethylamino)phenyl]methylideneamino]hexane-1,2,3,4,5-pentol (CID 53381828) is (2R,3R,4R,5S)-6-[[4-(dimethylamino)phenyl]methylideneamino]hexane-1,2,3,4,5-pentol.
What is the SMILES notation for (2R,3R,4R,5S)-6-[[4-(dimethylamino)phenyl]methylideneamino]hexane-1,2,3,4,5-pentol?
The canonical SMILES for (2R,3R,4R,5S)-6-[[4-(dimethylamino)phenyl]methylideneamino]hexane-1,2,3,4,5-pentol is CN(C)c1ccc(/C=N/C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1.
What is the InChIKey of (2R,3R,4R,5S)-6-[[4-(dimethylamino)phenyl]methylideneamino]hexane-1,2,3,4,5-pentol?
The InChIKey is BQRPJNLMDQOKOE-IZRWYQKESA-N. The full InChI is InChI=1S/C15H24N2O5/c1-17(2)11-5-3-10(4-6-11)7-16-8-12(19)14(21)15(22)13(20)9-18/h3-7,12-15,18-22H,8-9H2,1-2H3/b16-7+/t12-,13+,14+,15+/m0/s1.
What are the key properties of (2R,3R,4R,5S)-6-[[4-(dimethylamino)phenyl]methylideneamino]hexane-1,2,3,4,5-pentol?
(2R,3R,4R,5S)-6-[[4-(dimethylamino)phenyl]methylideneamino]hexane-1,2,3,4,5-pentol has a molecular weight of 312.37 g/mol, XLogP of -1.39, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-6-[[4-(dimethylamino)phenyl]methylideneamino]hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 53381828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).