N-cyclopropyl-N'-(3-methoxypropyl)-N',2,2-trimethylpropane-1,3-diamine

C13H28N2O — CID 63009188

IUPACN-cyclopropyl-N'-(3-methoxypropyl)-N',2,2-trimethylpropane-1,3-diamine
SMILESCOCCCN(C)CC(C)(C)CNC1CC1
InChIInChI=1S/C13H28N2O/c1-13(2,10-14-12-6-7-12)11-15(3)8-5-9-16-4/h12,14H,5-11H2,1-4H3
InChIKeyNDZVVCQGIJDMBV-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds9

About N-cyclopropyl-N'-(3-methoxypropyl)-N',2,2-trimethylpropane-1,3-diamine

N-cyclopropyl-N'-(3-methoxypropyl)-N',2,2-trimethylpropane-1,3-diamine (PubChem CID 63009188) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-cyclopropyl-N'-(3-methoxypropyl)-N',2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-(3-methoxypropyl)-N',2,2-trimethylpropane-1,3-diamine
PubChem CID63009188
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-cyclopropyl-N'-(3-methoxypropyl)-N',2,2-trimethylpropane-1,3-diamine
SMILESCOCCCN(C)CC(C)(C)CNC1CC1
InChIInChI=1S/C13H28N2O/c1-13(2,10-14-12-6-7-12)11-15(3)8-5-9-16-4/h12,14H,5-11H2,1-4H3
InChIKeyNDZVVCQGIJDMBV-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(3-methoxypropyl)-N',2,2-trimethylpropane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N'-(3-methoxypropyl)-N',2,2-trimethylpropane-1,3-diamine (CID 63009188) is N-cyclopropyl-N'-(3-methoxypropyl)-N',2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N'-(3-methoxypropyl)-N',2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N'-(3-methoxypropyl)-N',2,2-trimethylpropane-1,3-diamine is COCCCN(C)CC(C)(C)CNC1CC1.
What is the InChIKey of N-cyclopropyl-N'-(3-methoxypropyl)-N',2,2-trimethylpropane-1,3-diamine?
The InChIKey is NDZVVCQGIJDMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-13(2,10-14-12-6-7-12)11-15(3)8-5-9-16-4/h12,14H,5-11H2,1-4H3.
What are the key properties of N-cyclopropyl-N'-(3-methoxypropyl)-N',2,2-trimethylpropane-1,3-diamine?
N-cyclopropyl-N'-(3-methoxypropyl)-N',2,2-trimethylpropane-1,3-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(3-methoxypropyl)-N',2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 63009188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).