N-(3-butoxypropyl)-N-propylcyclopropanamine

C13H27NO — CID 142623081

IUPACN-(3-butoxypropyl)-N-propylcyclopropanamine
SMILESCCCCOCCCN(CCC)C1CC1
InChIInChI=1S/C13H27NO/c1-3-5-11-15-12-6-10-14(9-4-2)13-7-8-13/h13H,3-12H2,1-2H3
InChIKeyCJVQDYCWOJAETE-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.07
Rot. Bonds10

About N-(3-butoxypropyl)-N-propylcyclopropanamine

N-(3-butoxypropyl)-N-propylcyclopropanamine (PubChem CID 142623081) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(3-butoxypropyl)-N-propylcyclopropanamine.

Molecular Properties

Compound NameN-(3-butoxypropyl)-N-propylcyclopropanamine
PubChem CID142623081
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(3-butoxypropyl)-N-propylcyclopropanamine
SMILESCCCCOCCCN(CCC)C1CC1
InChIInChI=1S/C13H27NO/c1-3-5-11-15-12-6-10-14(9-4-2)13-7-8-13/h13H,3-12H2,1-2H3
InChIKeyCJVQDYCWOJAETE-UHFFFAOYSA-N
XLogP3.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3-butoxypropyl)-N-propylcyclopropanamine?
The IUPAC name of N-(3-butoxypropyl)-N-propylcyclopropanamine (CID 142623081) is N-(3-butoxypropyl)-N-propylcyclopropanamine.
What is the SMILES notation for N-(3-butoxypropyl)-N-propylcyclopropanamine?
The canonical SMILES for N-(3-butoxypropyl)-N-propylcyclopropanamine is CCCCOCCCN(CCC)C1CC1.
What is the InChIKey of N-(3-butoxypropyl)-N-propylcyclopropanamine?
The InChIKey is CJVQDYCWOJAETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-5-11-15-12-6-10-14(9-4-2)13-7-8-13/h13H,3-12H2,1-2H3.
What are the key properties of N-(3-butoxypropyl)-N-propylcyclopropanamine?
N-(3-butoxypropyl)-N-propylcyclopropanamine has a molecular weight of 213.36 g/mol, XLogP of 3.07, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-N-propylcyclopropanamine is sourced from PubChem (CID 142623081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).