2-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide

C11H24N2O3 — CID 106310631

IUPAC2-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)NCCCOCCO
InChIInChI=1S/C11H24N2O3/c1-9(2)10(8-12)11(15)13-4-3-6-16-7-5-14/h9-10,14H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyRBHGNKIGVLZSSV-UHFFFAOYSA-N
MW232.32 g/mol
LogP-0.27
Rot. Bonds9

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

2-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide (PubChem CID 106310631) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide
PubChem CID106310631
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name2-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)NCCCOCCO
InChIInChI=1S/C11H24N2O3/c1-9(2)10(8-12)11(15)13-4-3-6-16-7-5-14/h9-10,14H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyRBHGNKIGVLZSSV-UHFFFAOYSA-N
XLogP-0.27
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 5-0.27
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

2-(aminomethyl)-N-(3-aminopropyl)-3-methylbutanamide
CID 65229477
2-bromo-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide
CID 106309578
5-amino-N-[3-(2-hydroxyethoxy)propyl]-4-methylpentanamide
CID 106310722
3-[3-(2-hydroxyethoxy)propylamino]-2-methyl-3-oxopropanoic acid
CID 106307494
2-(aminomethyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-methylbutanamide
CID 114127194
4-[[2-(aminomethyl)-3-methylbutanoyl]amino]butanoic acid
CID 65227720
2-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylbutanamide
CID 106235067
3-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide
CID 106310633
4-(2-aminoethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide
CID 106310740
3-amino-4-[3-(2-hydroxyethoxy)propylamino]-4-oxobutanoic acid
CID 106310522
methyl 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]propanoate
CID 65228791
2-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 61275223

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide (CID 106310631) is 2-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide is CC(C)C(CN)C(=O)NCCCOCCO.
What is the InChIKey of 2-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide?
The InChIKey is RBHGNKIGVLZSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-9(2)10(8-12)11(15)13-4-3-6-16-7-5-14/h9-10,14H,3-8,12H2,1-2H3,(H,13,15).
What are the key properties of 2-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide?
2-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide has a molecular weight of 232.32 g/mol, XLogP of -0.27, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide is sourced from PubChem (CID 106310631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).