3-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide

C13H28N2O3 — CID 106310633

IUPAC3-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide
SMILESCC(C)CC(CN)CC(=O)NCCCOCCO
InChIInChI=1S/C13H28N2O3/c1-11(2)8-12(10-14)9-13(17)15-4-3-6-18-7-5-16/h11-12,16H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyAIJBHKILHWXINF-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.51
Rot. Bonds11

About 3-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide

3-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide (PubChem CID 106310633) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide
PubChem CID106310633
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name3-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide
SMILESCC(C)CC(CN)CC(=O)NCCCOCCO
InChIInChI=1S/C13H28N2O3/c1-11(2)8-12(10-14)9-13(17)15-4-3-6-18-7-5-16/h11-12,16H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyAIJBHKILHWXINF-UHFFFAOYSA-N
XLogP0.51
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(aminomethyl)-N-(6-hydroxyhexyl)-5-methylhexanamide
CID 107842492
5-amino-N-[3-(2-hydroxyethoxy)propyl]-4-methylpentanamide
CID 106310722
(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
2-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide
CID 106310631
4-amino-N-(3-butoxypropyl)-3-methylbutanamide
CID 115737913
(3S)-3-(aminomethyl)-5-methyl-N-[(E)-pent-3-enyl]hexanamide
CID 104861311
4-(2-aminoethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide
CID 106310740
(3S)-3-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)-5-methylhexanamide
CID 114150065
3-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]pentanamide
CID 81070555
3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide
CID 107152937

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide?
The IUPAC name of 3-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide (CID 106310633) is 3-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide?
The canonical SMILES for 3-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide is CC(C)CC(CN)CC(=O)NCCCOCCO.
What is the InChIKey of 3-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide?
The InChIKey is AIJBHKILHWXINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-11(2)8-12(10-14)9-13(17)15-4-3-6-18-7-5-16/h11-12,16H,3-10,14H2,1-2H3,(H,15,17).
What are the key properties of 3-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide?
3-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide has a molecular weight of 260.38 g/mol, XLogP of 0.51, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide is sourced from PubChem (CID 106310633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).