N-(3,3-diethoxypropyl)-N-(2-methylpropyl)cyclopropanamine

C14H29NO2 — CID 63628424

IUPACN-(3,3-diethoxypropyl)-N-(2-methylpropyl)cyclopropanamine
SMILESCCOC(CCN(CC(C)C)C1CC1)OCC
InChIInChI=1S/C14H29NO2/c1-5-16-14(17-6-2)9-10-15(11-12(3)4)13-7-8-13/h12-14H,5-11H2,1-4H3
InChIKeyGXGAZQZDRUVFLV-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.90
Rot. Bonds10

About N-(3,3-diethoxypropyl)-N-(2-methylpropyl)cyclopropanamine

N-(3,3-diethoxypropyl)-N-(2-methylpropyl)cyclopropanamine (PubChem CID 63628424) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(3,3-diethoxypropyl)-N-(2-methylpropyl)cyclopropanamine.

Molecular Properties

Compound NameN-(3,3-diethoxypropyl)-N-(2-methylpropyl)cyclopropanamine
PubChem CID63628424
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-(3,3-diethoxypropyl)-N-(2-methylpropyl)cyclopropanamine
SMILESCCOC(CCN(CC(C)C)C1CC1)OCC
InChIInChI=1S/C14H29NO2/c1-5-16-14(17-6-2)9-10-15(11-12(3)4)13-7-8-13/h12-14H,5-11H2,1-4H3
InChIKeyGXGAZQZDRUVFLV-UHFFFAOYSA-N
XLogP2.90
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-diethoxypropyl)-N-(2-methylpropyl)cyclopropanamine?
The IUPAC name of N-(3,3-diethoxypropyl)-N-(2-methylpropyl)cyclopropanamine (CID 63628424) is N-(3,3-diethoxypropyl)-N-(2-methylpropyl)cyclopropanamine.
What is the SMILES notation for N-(3,3-diethoxypropyl)-N-(2-methylpropyl)cyclopropanamine?
The canonical SMILES for N-(3,3-diethoxypropyl)-N-(2-methylpropyl)cyclopropanamine is CCOC(CCN(CC(C)C)C1CC1)OCC.
What is the InChIKey of N-(3,3-diethoxypropyl)-N-(2-methylpropyl)cyclopropanamine?
The InChIKey is GXGAZQZDRUVFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-5-16-14(17-6-2)9-10-15(11-12(3)4)13-7-8-13/h12-14H,5-11H2,1-4H3.
What are the key properties of N-(3,3-diethoxypropyl)-N-(2-methylpropyl)cyclopropanamine?
N-(3,3-diethoxypropyl)-N-(2-methylpropyl)cyclopropanamine has a molecular weight of 243.39 g/mol, XLogP of 2.90, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diethoxypropyl)-N-(2-methylpropyl)cyclopropanamine is sourced from PubChem (CID 63628424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).