N-(6-aminohexyl)-4-(3-methylbutanoyl)morpholine-2-carboxamide

C16H31N3O3 — CID 11709417

IUPACN-(6-aminohexyl)-4-(3-methylbutanoyl)morpholine-2-carboxamide
SMILESCC(C)CC(=O)N1CCOC(C(=O)NCCCCCCN)C1
InChIInChI=1S/C16H31N3O3/c1-13(2)11-15(20)19-9-10-22-14(12-19)16(21)18-8-6-4-3-5-7-17/h13-14H,3-12,17H2,1-2H3,(H,18,21)
InChIKeyAAKDPMUKLLTPCU-UHFFFAOYSA-N
MW313.44 g/mol
LogP0.90
Rot. Bonds9

About N-(6-aminohexyl)-4-(3-methylbutanoyl)morpholine-2-carboxamide

N-(6-aminohexyl)-4-(3-methylbutanoyl)morpholine-2-carboxamide (PubChem CID 11709417) has the molecular formula C16H31N3O3 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-(6-aminohexyl)-4-(3-methylbutanoyl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-4-(3-methylbutanoyl)morpholine-2-carboxamide
PubChem CID11709417
Molecular FormulaC16H31N3O3
Molecular Weight313.44 g/mol
Exact Mass313.24
IUPAC NameN-(6-aminohexyl)-4-(3-methylbutanoyl)morpholine-2-carboxamide
SMILESCC(C)CC(=O)N1CCOC(C(=O)NCCCCCCN)C1
InChIInChI=1S/C16H31N3O3/c1-13(2)11-15(20)19-9-10-22-14(12-19)16(21)18-8-6-4-3-5-7-17/h13-14H,3-12,17H2,1-2H3,(H,18,21)
InChIKeyAAKDPMUKLLTPCU-UHFFFAOYSA-N
XLogP0.90
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(6-aminohexyl)-4-(3-methylbutanoyl)morpholine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-4-(3-methylbutanoyl)morpholine-2-carboxamide?
The IUPAC name of N-(6-aminohexyl)-4-(3-methylbutanoyl)morpholine-2-carboxamide (CID 11709417) is N-(6-aminohexyl)-4-(3-methylbutanoyl)morpholine-2-carboxamide.
What is the SMILES notation for N-(6-aminohexyl)-4-(3-methylbutanoyl)morpholine-2-carboxamide?
The canonical SMILES for N-(6-aminohexyl)-4-(3-methylbutanoyl)morpholine-2-carboxamide is CC(C)CC(=O)N1CCOC(C(=O)NCCCCCCN)C1.
What is the InChIKey of N-(6-aminohexyl)-4-(3-methylbutanoyl)morpholine-2-carboxamide?
The InChIKey is AAKDPMUKLLTPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3/c1-13(2)11-15(20)19-9-10-22-14(12-19)16(21)18-8-6-4-3-5-7-17/h13-14H,3-12,17H2,1-2H3,(H,18,21).
What are the key properties of N-(6-aminohexyl)-4-(3-methylbutanoyl)morpholine-2-carboxamide?
N-(6-aminohexyl)-4-(3-methylbutanoyl)morpholine-2-carboxamide has a molecular weight of 313.44 g/mol, XLogP of 0.90, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-4-(3-methylbutanoyl)morpholine-2-carboxamide is sourced from PubChem (CID 11709417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).