1-[[3-cyclohexyl-1-hydroxy-1-[1-hydroxy-3-methyl-1-(methylideneamino)pentan-2-yl]oxypropan-2-yl]amino]-2,3-dimethylpentan-1-ol

C23H46N2O4 — CID 91058797

IUPAC1-[[3-cyclohexyl-1-hydroxy-1-[1-hydroxy-3-methyl-1-(methylideneamino)pentan-2-yl]oxypropan-2-yl]amino]-2,3-dimethylpentan-1-ol
SMILESC=NC(O)C(OC(O)C(CC1CCCCC1)NC(O)C(C)C(C)CC)C(C)CC
InChIInChI=1S/C23H46N2O4/c1-7-15(3)17(5)21(26)25-19(14-18-12-10-9-11-13-18)23(28)29-20(16(4)8-2)22(27)24-6/h15-23,25-28H,6-14H2,1-5H3
InChIKeyVXOMQSBRZKXODF-UHFFFAOYSA-N
MW414.63 g/mol
LogP3.68
Rot. Bonds14

About 1-[[3-cyclohexyl-1-hydroxy-1-[1-hydroxy-3-methyl-1-(methylideneamino)pentan-2-yl]oxypropan-2-yl]amino]-2,3-dimethylpentan-1-ol

1-[[3-cyclohexyl-1-hydroxy-1-[1-hydroxy-3-methyl-1-(methylideneamino)pentan-2-yl]oxypropan-2-yl]amino]-2,3-dimethylpentan-1-ol (PubChem CID 91058797) has the molecular formula C23H46N2O4 and a molecular weight of 414.63 g/mol. Its IUPAC name is 1-[[3-cyclohexyl-1-hydroxy-1-[1-hydroxy-3-methyl-1-(methylideneamino)pentan-2-yl]oxypropan-2-yl]amino]-2,3-dimethylpentan-1-ol.

Molecular Properties

Compound Name1-[[3-cyclohexyl-1-hydroxy-1-[1-hydroxy-3-methyl-1-(methylideneamino)pentan-2-yl]oxypropan-2-yl]amino]-2,3-dimethylpentan-1-ol
PubChem CID91058797
Molecular FormulaC23H46N2O4
Molecular Weight414.63 g/mol
Exact Mass414.35
IUPAC Name1-[[3-cyclohexyl-1-hydroxy-1-[1-hydroxy-3-methyl-1-(methylideneamino)pentan-2-yl]oxypropan-2-yl]amino]-2,3-dimethylpentan-1-ol
SMILESC=NC(O)C(OC(O)C(CC1CCCCC1)NC(O)C(C)C(C)CC)C(C)CC
InChIInChI=1S/C23H46N2O4/c1-7-15(3)17(5)21(26)25-19(14-18-12-10-9-11-13-18)23(28)29-20(16(4)8-2)22(27)24-6/h15-23,25-28H,6-14H2,1-5H3
InChIKeyVXOMQSBRZKXODF-UHFFFAOYSA-N
XLogP3.68
TPSA94.31 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.63
LogP ≤ 53.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[[3-cyclohexyl-1-hydroxy-1-[1-hydroxy-3-methyl-1-(methylideneamino)pentan-2-yl]oxypropan-2-yl]amino]-2,3-dimethylpentan-1-ol with MolForge

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Related Compounds

3-cyclohexyl-2-[(1-hydroxy-2,3-dimethylpentyl)amino]propanamide
CID 91328621
(1-cyclopentyl-3-methylpentan-2-yl)hydrazine
CID 105219565
1-cyclobutyl-3-methylpentan-2-ol
CID 65459256
(2-ethyl-3-methylpentyl)cyclohexane
CID 91213059
3-cyclohexyl-2-methylpropane-1,1-diol
CID 20647941
(2R)-1-cyclohexylbutan-2-ol
CID 59949714
2,3-dimethylbutylcyclodecane
CID 123220792
1-cyclopentyl-4-methylhexan-3-ol
CID 115823411
1-cycloheptyl-N,3-dimethylhexan-2-amine
CID 107893929
2-ethoxypropylcyclohexane
CID 57126788
(2S)-1-cyclohexyl-N,3-dimethylbutan-2-amine
CID 167019095
1-cyclohexyl-N-ethyl-3-methylhexan-2-amine
CID 115842188

Frequently Asked Questions

What is the IUPAC name of 1-[[3-cyclohexyl-1-hydroxy-1-[1-hydroxy-3-methyl-1-(methylideneamino)pentan-2-yl]oxypropan-2-yl]amino]-2,3-dimethylpentan-1-ol?
The IUPAC name of 1-[[3-cyclohexyl-1-hydroxy-1-[1-hydroxy-3-methyl-1-(methylideneamino)pentan-2-yl]oxypropan-2-yl]amino]-2,3-dimethylpentan-1-ol (CID 91058797) is 1-[[3-cyclohexyl-1-hydroxy-1-[1-hydroxy-3-methyl-1-(methylideneamino)pentan-2-yl]oxypropan-2-yl]amino]-2,3-dimethylpentan-1-ol.
What is the SMILES notation for 1-[[3-cyclohexyl-1-hydroxy-1-[1-hydroxy-3-methyl-1-(methylideneamino)pentan-2-yl]oxypropan-2-yl]amino]-2,3-dimethylpentan-1-ol?
The canonical SMILES for 1-[[3-cyclohexyl-1-hydroxy-1-[1-hydroxy-3-methyl-1-(methylideneamino)pentan-2-yl]oxypropan-2-yl]amino]-2,3-dimethylpentan-1-ol is C=NC(O)C(OC(O)C(CC1CCCCC1)NC(O)C(C)C(C)CC)C(C)CC.
What is the InChIKey of 1-[[3-cyclohexyl-1-hydroxy-1-[1-hydroxy-3-methyl-1-(methylideneamino)pentan-2-yl]oxypropan-2-yl]amino]-2,3-dimethylpentan-1-ol?
The InChIKey is VXOMQSBRZKXODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N2O4/c1-7-15(3)17(5)21(26)25-19(14-18-12-10-9-11-13-18)23(28)29-20(16(4)8-2)22(27)24-6/h15-23,25-28H,6-14H2,1-5H3.
What are the key properties of 1-[[3-cyclohexyl-1-hydroxy-1-[1-hydroxy-3-methyl-1-(methylideneamino)pentan-2-yl]oxypropan-2-yl]amino]-2,3-dimethylpentan-1-ol?
1-[[3-cyclohexyl-1-hydroxy-1-[1-hydroxy-3-methyl-1-(methylideneamino)pentan-2-yl]oxypropan-2-yl]amino]-2,3-dimethylpentan-1-ol has a molecular weight of 414.63 g/mol, XLogP of 3.68, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-cyclohexyl-1-hydroxy-1-[1-hydroxy-3-methyl-1-(methylideneamino)pentan-2-yl]oxypropan-2-yl]amino]-2,3-dimethylpentan-1-ol is sourced from PubChem (CID 91058797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).