N-(3-methoxypropyl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine

C11H26N2O — CID 22075512

IUPACN-(3-methoxypropyl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCOCCCNCC(C)CNC(C)C
InChIInChI=1S/C11H26N2O/c1-10(2)13-9-11(3)8-12-6-5-7-14-4/h10-13H,5-9H2,1-4H3
InChIKeyNDYMOVIHBDGPON-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.25
Rot. Bonds9

About N-(3-methoxypropyl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine

N-(3-methoxypropyl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 22075512) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID22075512
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC NameN-(3-methoxypropyl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCOCCCNCC(C)CNC(C)C
InChIInChI=1S/C11H26N2O/c1-10(2)13-9-11(3)8-12-6-5-7-14-4/h10-13H,5-9H2,1-4H3
InChIKeyNDYMOVIHBDGPON-UHFFFAOYSA-N
XLogP1.25
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-methoxypropyl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine 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-methoxypropyl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-(3-methoxypropyl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine (CID 22075512) is N-(3-methoxypropyl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-(3-methoxypropyl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-(3-methoxypropyl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine is COCCCNCC(C)CNC(C)C.
What is the InChIKey of N-(3-methoxypropyl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is NDYMOVIHBDGPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-10(2)13-9-11(3)8-12-6-5-7-14-4/h10-13H,5-9H2,1-4H3.
What are the key properties of N-(3-methoxypropyl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine?
N-(3-methoxypropyl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 202.34 g/mol, XLogP of 1.25, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 22075512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).