(3R,4R)-2-[butyl(methyl)amino]pentane-1,3,4-triol

C10H23NO3 — CID 137483960

IUPAC(3R,4R)-2-[butyl(methyl)amino]pentane-1,3,4-triol
SMILESCCCCN(C)C(CO)[C@@H](O)[C@@H](C)O
InChIInChI=1S/C10H23NO3/c1-4-5-6-11(3)9(7-12)10(14)8(2)13/h8-10,12-14H,4-7H2,1-3H3/t8-,9?,10+/m1/s1
InChIKeyYSMBYIGBJUDBNF-FIBVVXLUSA-N
MW205.30 g/mol
LogP-0.18
Rot. Bonds7

About (3R,4R)-2-[butyl(methyl)amino]pentane-1,3,4-triol

(3R,4R)-2-[butyl(methyl)amino]pentane-1,3,4-triol (PubChem CID 137483960) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is (3R,4R)-2-[butyl(methyl)amino]pentane-1,3,4-triol.

Molecular Properties

Compound Name(3R,4R)-2-[butyl(methyl)amino]pentane-1,3,4-triol
PubChem CID137483960
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name(3R,4R)-2-[butyl(methyl)amino]pentane-1,3,4-triol
SMILESCCCCN(C)C(CO)[C@@H](O)[C@@H](C)O
InChIInChI=1S/C10H23NO3/c1-4-5-6-11(3)9(7-12)10(14)8(2)13/h8-10,12-14H,4-7H2,1-3H3/t8-,9?,10+/m1/s1
InChIKeyYSMBYIGBJUDBNF-FIBVVXLUSA-N
XLogP-0.18
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-[butyl(methyl)amino]-4,4-dimethylpentan-1-ol
CID 114356500
2-(diethylamino)pentane-1,3,4-triol
CID 121452059
(3S)-2-[butyl(2,2-dihydroxyethyl)amino]butane-1,3-diol
CID 130199633
1-[dodecyl(methyl)amino]propane-1,2-diol
CID 129203951
3-amino-4,4-dimethyl-2-[methyl(pentyl)amino]pentan-1-ol
CID 114356628
N-methyl-N-propan-2-yltridecan-1-amine
CID 88970420
2-[hexan-2-yl(methyl)amino]ethanol
CID 88539909
1-[methyl(pentyl)amino]propan-1-ol
CID 87216398
N-(1-chloropropan-2-yl)-N-methylbutan-1-amine
CID 104555107
ethane;N-methyl-N-propan-2-yldodecan-1-amine
CID 142585410
1-[butyl(methyl)amino]butane-2,3-diol
CID 123630501
pentane;propane-1,2-diol
CID 88731847

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-2-[butyl(methyl)amino]pentane-1,3,4-triol?
The IUPAC name of (3R,4R)-2-[butyl(methyl)amino]pentane-1,3,4-triol (CID 137483960) is (3R,4R)-2-[butyl(methyl)amino]pentane-1,3,4-triol.
What is the SMILES notation for (3R,4R)-2-[butyl(methyl)amino]pentane-1,3,4-triol?
The canonical SMILES for (3R,4R)-2-[butyl(methyl)amino]pentane-1,3,4-triol is CCCCN(C)C(CO)[C@@H](O)[C@@H](C)O.
What is the InChIKey of (3R,4R)-2-[butyl(methyl)amino]pentane-1,3,4-triol?
The InChIKey is YSMBYIGBJUDBNF-FIBVVXLUSA-N. The full InChI is InChI=1S/C10H23NO3/c1-4-5-6-11(3)9(7-12)10(14)8(2)13/h8-10,12-14H,4-7H2,1-3H3/t8-,9?,10+/m1/s1.
What are the key properties of (3R,4R)-2-[butyl(methyl)amino]pentane-1,3,4-triol?
(3R,4R)-2-[butyl(methyl)amino]pentane-1,3,4-triol has a molecular weight of 205.30 g/mol, XLogP of -0.18, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-2-[butyl(methyl)amino]pentane-1,3,4-triol is sourced from PubChem (CID 137483960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).