N-(3-aminopropyl)-3-methoxy-3-methyl-N-propan-2-ylbutanamide

C12H26N2O2 — CID 103017277

IUPACN-(3-aminopropyl)-3-methoxy-3-methyl-N-propan-2-ylbutanamide
SMILESCOC(C)(C)CC(=O)N(CCCN)C(C)C
InChIInChI=1S/C12H26N2O2/c1-10(2)14(8-6-7-13)11(15)9-12(3,4)16-5/h10H,6-9,13H2,1-5H3
InChIKeyCEMXMWBNBALEEN-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.39
Rot. Bonds7

About N-(3-aminopropyl)-3-methoxy-3-methyl-N-propan-2-ylbutanamide

N-(3-aminopropyl)-3-methoxy-3-methyl-N-propan-2-ylbutanamide (PubChem CID 103017277) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-methoxy-3-methyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-methoxy-3-methyl-N-propan-2-ylbutanamide
PubChem CID103017277
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-(3-aminopropyl)-3-methoxy-3-methyl-N-propan-2-ylbutanamide
SMILESCOC(C)(C)CC(=O)N(CCCN)C(C)C
InChIInChI=1S/C12H26N2O2/c1-10(2)14(8-6-7-13)11(15)9-12(3,4)16-5/h10H,6-9,13H2,1-5H3
InChIKeyCEMXMWBNBALEEN-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-aminopropyl)-3-methoxy-3-methyl-N-propan-2-ylbutanamide 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-(3-aminopropyl)-3-methoxy-3-methyl-N-propan-2-ylbutanamide?
The IUPAC name of N-(3-aminopropyl)-3-methoxy-3-methyl-N-propan-2-ylbutanamide (CID 103017277) is N-(3-aminopropyl)-3-methoxy-3-methyl-N-propan-2-ylbutanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-methoxy-3-methyl-N-propan-2-ylbutanamide?
The canonical SMILES for N-(3-aminopropyl)-3-methoxy-3-methyl-N-propan-2-ylbutanamide is COC(C)(C)CC(=O)N(CCCN)C(C)C.
What is the InChIKey of N-(3-aminopropyl)-3-methoxy-3-methyl-N-propan-2-ylbutanamide?
The InChIKey is CEMXMWBNBALEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10(2)14(8-6-7-13)11(15)9-12(3,4)16-5/h10H,6-9,13H2,1-5H3.
What are the key properties of N-(3-aminopropyl)-3-methoxy-3-methyl-N-propan-2-ylbutanamide?
N-(3-aminopropyl)-3-methoxy-3-methyl-N-propan-2-ylbutanamide has a molecular weight of 230.35 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-methoxy-3-methyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 103017277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).