3-(aminomethyl)-N-(6-hydroxyhexyl)-5-methylhexanamide

C14H30N2O2 — CID 107842492

IUPAC3-(aminomethyl)-N-(6-hydroxyhexyl)-5-methylhexanamide
SMILESCC(C)CC(CN)CC(=O)NCCCCCCO
InChIInChI=1S/C14H30N2O2/c1-12(2)9-13(11-15)10-14(18)16-7-5-3-4-6-8-17/h12-13,17H,3-11,15H2,1-2H3,(H,16,18)
InChIKeyNECXHBMRRZFCHC-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.67
Rot. Bonds11

About 3-(aminomethyl)-N-(6-hydroxyhexyl)-5-methylhexanamide

3-(aminomethyl)-N-(6-hydroxyhexyl)-5-methylhexanamide (PubChem CID 107842492) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(6-hydroxyhexyl)-5-methylhexanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(6-hydroxyhexyl)-5-methylhexanamide
PubChem CID107842492
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name3-(aminomethyl)-N-(6-hydroxyhexyl)-5-methylhexanamide
SMILESCC(C)CC(CN)CC(=O)NCCCCCCO
InChIInChI=1S/C14H30N2O2/c1-12(2)9-13(11-15)10-14(18)16-7-5-3-4-6-8-17/h12-13,17H,3-11,15H2,1-2H3,(H,16,18)
InChIKeyNECXHBMRRZFCHC-UHFFFAOYSA-N
XLogP1.67
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide
CID 106310633
(3S)-3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]-5-methylhexanamide
CID 83110554
5-[[(3S)-3-(aminomethyl)-5-methylhexanoyl]amino]-2-methylpentanoic acid
CID 103870685
(3S)-3-(aminomethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide
CID 106011625
3-(aminomethyl)-N-(7-methyloctyl)pentanamide
CID 81086572
(3S)-3-(aminomethyl)-5-methyl-N-[(E)-pent-3-enyl]hexanamide
CID 104861311
3-amino-N-(5-hydroxypentyl)-4-methylpentanamide
CID 107317604
(3S)-3-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)-5-methylhexanamide
CID 114150065
(3S)-3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide
CID 107152919
3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide
CID 107152937
(3S)-3-(aminomethyl)-5-methyl-N-(2-methylsulfinylpropyl)hexanamide
CID 104865579
3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(6-hydroxyhexyl)-5-methylhexanamide?
The IUPAC name of 3-(aminomethyl)-N-(6-hydroxyhexyl)-5-methylhexanamide (CID 107842492) is 3-(aminomethyl)-N-(6-hydroxyhexyl)-5-methylhexanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(6-hydroxyhexyl)-5-methylhexanamide?
The canonical SMILES for 3-(aminomethyl)-N-(6-hydroxyhexyl)-5-methylhexanamide is CC(C)CC(CN)CC(=O)NCCCCCCO.
What is the InChIKey of 3-(aminomethyl)-N-(6-hydroxyhexyl)-5-methylhexanamide?
The InChIKey is NECXHBMRRZFCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-12(2)9-13(11-15)10-14(18)16-7-5-3-4-6-8-17/h12-13,17H,3-11,15H2,1-2H3,(H,16,18).
What are the key properties of 3-(aminomethyl)-N-(6-hydroxyhexyl)-5-methylhexanamide?
3-(aminomethyl)-N-(6-hydroxyhexyl)-5-methylhexanamide has a molecular weight of 258.41 g/mol, XLogP of 1.67, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(6-hydroxyhexyl)-5-methylhexanamide is sourced from PubChem (CID 107842492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).