3-(aminomethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide

C15H32N2O2 — CID 107152806

IUPAC3-(aminomethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide
SMILESCC(C)CC(CN)CC(=O)NCC(O)CC(C)(C)C
InChIInChI=1S/C15H32N2O2/c1-11(2)6-12(9-16)7-14(19)17-10-13(18)8-15(3,4)5/h11-13,18H,6-10,16H2,1-5H3,(H,17,19)
InChIKeyPAKJBLRRJORIAB-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.91
Rot. Bonds8

About 3-(aminomethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide

3-(aminomethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide (PubChem CID 107152806) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide
PubChem CID107152806
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name3-(aminomethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide
SMILESCC(C)CC(CN)CC(=O)NCC(O)CC(C)(C)C
InChIInChI=1S/C15H32N2O2/c1-11(2)6-12(9-16)7-14(19)17-10-13(18)8-15(3,4)5/h11-13,18H,6-10,16H2,1-5H3,(H,17,19)
InChIKeyPAKJBLRRJORIAB-UHFFFAOYSA-N
XLogP1.91
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.91
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-hydroxy-4-methylpentyl)-5-methylhexanamide
CID 107152919
(3S)-3-(aminomethyl)-N-(2-hydroxypentyl)-5-methylhexanamide
CID 113495819
(3S)-3-(aminomethyl)-5-methyl-N-(2-methylsulfinylpropyl)hexanamide
CID 104865579
(3S)-3-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)-5-methylhexanamide
CID 114150065
(3S)-3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]-5-methylhexanamide
CID 83110554
2-[[[3-(aminomethyl)-5-methylhexanoyl]amino]methyl]-2-ethylbutanoic acid
CID 115430292
(3S)-3-(aminomethyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methylhexanamide
CID 106255431
4-(2-aminoethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide
CID 107152864
N-(2-hydroxy-4,4-dimethylpentyl)-4,4-dimethylpentanamide
CID 113239541
2-amino-N-(2-hydroxy-4,4-dimethylpentyl)propanamide
CID 103797355
3-(aminomethyl)-N-(6-hydroxyhexyl)-5-methylhexanamide
CID 107842492

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide?
The IUPAC name of 3-(aminomethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide (CID 107152806) is 3-(aminomethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide is CC(C)CC(CN)CC(=O)NCC(O)CC(C)(C)C.
What is the InChIKey of 3-(aminomethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide?
The InChIKey is PAKJBLRRJORIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-11(2)6-12(9-16)7-14(19)17-10-13(18)8-15(3,4)5/h11-13,18H,6-10,16H2,1-5H3,(H,17,19).
What are the key properties of 3-(aminomethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide?
3-(aminomethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide has a molecular weight of 272.43 g/mol, XLogP of 1.91, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide is sourced from PubChem (CID 107152806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).