(3S)-3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide

C14H30N2O2 — CID 107152919

IUPAC(3S)-3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide
SMILESCC(C)CC(O)CNC(=O)C[C@@H](CN)CC(C)C
InChIInChI=1S/C14H30N2O2/c1-10(2)5-12(8-15)7-14(18)16-9-13(17)6-11(3)4/h10-13,17H,5-9,15H2,1-4H3,(H,16,18)/t12-,13?/m0/s1
InChIKeyHTIKAXRKXLBLBH-UEWDXFNNSA-N
MW258.41 g/mol
LogP1.52
Rot. Bonds9

About (3S)-3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide

(3S)-3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide (PubChem CID 107152919) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (3S)-3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide.

Molecular Properties

Compound Name(3S)-3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide
PubChem CID107152919
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name(3S)-3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide
SMILESCC(C)CC(O)CNC(=O)C[C@@H](CN)CC(C)C
InChIInChI=1S/C14H30N2O2/c1-10(2)5-12(8-15)7-14(18)16-9-13(17)6-11(3)4/h10-13,17H,5-9,15H2,1-4H3,(H,16,18)/t12-,13?/m0/s1
InChIKeyHTIKAXRKXLBLBH-UEWDXFNNSA-N
XLogP1.52
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide
CID 107152937
(3S)-3-(aminomethyl)-N-(2-hydroxypentyl)-5-methylhexanamide
CID 113495819
3-(aminomethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide
CID 107152806
(3S)-3-(aminomethyl)-5-methyl-N-(2-methylsulfinylpropyl)hexanamide
CID 104865579
(3S)-3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]-5-methylhexanamide
CID 83110554
3-(aminomethyl)-N-(6-hydroxyhexyl)-5-methylhexanamide
CID 107842492
3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-5-methylhexanamide
CID 106337101
(3S)-3-(aminomethyl)-5-methyl-N-[(E)-pent-3-enyl]hexanamide
CID 104861311
4-hydroxy-N-(2-hydroxy-4-methylpentyl)pentanamide
CID 107159465
(3S)-3-(aminomethyl)-5-methyl-N-propylsulfonylhexanamide
CID 103307564
5-[[(3S)-3-(aminomethyl)-5-methylhexanoyl]amino]-2-methylpentanoic acid
CID 103870685
(3S)-3-(aminomethyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methylhexanamide
CID 106255431

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide?
The IUPAC name of (3S)-3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide (CID 107152919) is (3S)-3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide.
What is the SMILES notation for (3S)-3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide?
The canonical SMILES for (3S)-3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide is CC(C)CC(O)CNC(=O)C[C@@H](CN)CC(C)C.
What is the InChIKey of (3S)-3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide?
The InChIKey is HTIKAXRKXLBLBH-UEWDXFNNSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-10(2)5-12(8-15)7-14(18)16-9-13(17)6-11(3)4/h10-13,17H,5-9,15H2,1-4H3,(H,16,18)/t12-,13?/m0/s1.
What are the key properties of (3S)-3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide?
(3S)-3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide has a molecular weight of 258.41 g/mol, XLogP of 1.52, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide is sourced from PubChem (CID 107152919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).