(4R)-9-[methyl(2-methylpentyl)amino]nonane-1,4,6-triol

C16H35NO3 — CID 137483974

IUPAC(4R)-9-[methyl(2-methylpentyl)amino]nonane-1,4,6-triol
SMILESCCCC(C)CN(C)CCCC(O)C[C@H](O)CCCO
InChIInChI=1S/C16H35NO3/c1-4-7-14(2)13-17(3)10-5-8-15(19)12-16(20)9-6-11-18/h14-16,18-20H,4-13H2,1-3H3/t14?,15?,16-/m1/s1
InChIKeyUTCZGGQRNKQANF-UYSNPLJNSA-N
MW289.46 g/mol
LogP2.02
Rot. Bonds13

About (4R)-9-[methyl(2-methylpentyl)amino]nonane-1,4,6-triol

(4R)-9-[methyl(2-methylpentyl)amino]nonane-1,4,6-triol (PubChem CID 137483974) has the molecular formula C16H35NO3 and a molecular weight of 289.46 g/mol. Its IUPAC name is (4R)-9-[methyl(2-methylpentyl)amino]nonane-1,4,6-triol.

Molecular Properties

Compound Name(4R)-9-[methyl(2-methylpentyl)amino]nonane-1,4,6-triol
PubChem CID137483974
Molecular FormulaC16H35NO3
Molecular Weight289.46 g/mol
Exact Mass289.26
IUPAC Name(4R)-9-[methyl(2-methylpentyl)amino]nonane-1,4,6-triol
SMILESCCCC(C)CN(C)CCCC(O)C[C@H](O)CCCO
InChIInChI=1S/C16H35NO3/c1-4-7-14(2)13-17(3)10-5-8-15(19)12-16(20)9-6-11-18/h14-16,18-20H,4-13H2,1-3H3/t14?,15?,16-/m1/s1
InChIKeyUTCZGGQRNKQANF-UYSNPLJNSA-N
XLogP2.02
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-hydroxyhexadecyl(methyl)amino]-4-methylicosan-6-ol
CID 156677909
(5R,7S)-decane-1,5,7-triol
CID 15527708
N-[3-[methyl(2-methylpentyl)amino]propyl]formamide
CID 123854882
(2R)-1-[3-hydroxypropyl(methyl)amino]propan-2-ol
CID 126974823
5-[methyl(2-methylbutyl)amino]pentan-1-ol
CID 62227275
4,6,8,10-tetramethyltridecan-1-ol
CID 172545129
nonane-1,4,6,8-tetrol
CID 57099696
N-dodecyl-N,2-dimethyldodecan-1-amine
CID 167511099
(4S)-6-methylheptane-1,4-diol
CID 88522325
N-methyl-N-(2-methylpropyl)butan-1-amine;pentan-1-ol
CID 169214639
1-[6-[2-hydroxynonyl(methyl)amino]hexyl-methylamino]nonan-2-ol
CID 21332463
4-methylheptan-1-ol;nonan-3-ol
CID 135150427

Frequently Asked Questions

What is the IUPAC name of (4R)-9-[methyl(2-methylpentyl)amino]nonane-1,4,6-triol?
The IUPAC name of (4R)-9-[methyl(2-methylpentyl)amino]nonane-1,4,6-triol (CID 137483974) is (4R)-9-[methyl(2-methylpentyl)amino]nonane-1,4,6-triol.
What is the SMILES notation for (4R)-9-[methyl(2-methylpentyl)amino]nonane-1,4,6-triol?
The canonical SMILES for (4R)-9-[methyl(2-methylpentyl)amino]nonane-1,4,6-triol is CCCC(C)CN(C)CCCC(O)C[C@H](O)CCCO.
What is the InChIKey of (4R)-9-[methyl(2-methylpentyl)amino]nonane-1,4,6-triol?
The InChIKey is UTCZGGQRNKQANF-UYSNPLJNSA-N. The full InChI is InChI=1S/C16H35NO3/c1-4-7-14(2)13-17(3)10-5-8-15(19)12-16(20)9-6-11-18/h14-16,18-20H,4-13H2,1-3H3/t14?,15?,16-/m1/s1.
What are the key properties of (4R)-9-[methyl(2-methylpentyl)amino]nonane-1,4,6-triol?
(4R)-9-[methyl(2-methylpentyl)amino]nonane-1,4,6-triol has a molecular weight of 289.46 g/mol, XLogP of 2.02, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-9-[methyl(2-methylpentyl)amino]nonane-1,4,6-triol is sourced from PubChem (CID 137483974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).