N-(3-pentoxypropyl)-N-propylcyclopropanamine

C14H29NO — CID 156795180

IUPACN-(3-pentoxypropyl)-N-propylcyclopropanamine
SMILESCCCCCOCCCN(CCC)C1CC1
InChIInChI=1S/C14H29NO/c1-3-5-6-12-16-13-7-11-15(10-4-2)14-8-9-14/h14H,3-13H2,1-2H3
InChIKeyCTVXEQGRTWYDMY-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.46
Rot. Bonds11

About N-(3-pentoxypropyl)-N-propylcyclopropanamine

N-(3-pentoxypropyl)-N-propylcyclopropanamine (PubChem CID 156795180) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-(3-pentoxypropyl)-N-propylcyclopropanamine.

Molecular Properties

Compound NameN-(3-pentoxypropyl)-N-propylcyclopropanamine
PubChem CID156795180
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-(3-pentoxypropyl)-N-propylcyclopropanamine
SMILESCCCCCOCCCN(CCC)C1CC1
InChIInChI=1S/C14H29NO/c1-3-5-6-12-16-13-7-11-15(10-4-2)14-8-9-14/h14H,3-13H2,1-2H3
InChIKeyCTVXEQGRTWYDMY-UHFFFAOYSA-N
XLogP3.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-pentoxypropyl)-N-propylcyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(2-butoxyethyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112173
N-butyl-N-propylcyclohexanamine
CID 15751893
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)cyclopropanamine
CID 104567115
N-[3-(2-methoxyethoxy)propyl]-N-propylazetidin-3-amine
CID 103411100
N-(2-chloroethyl)-N-pentylcyclopropanamine
CID 63388032
3-[3-[cyclopropyl(ethyl)amino]propoxy]propane-1-thiol
CID 170584632
N'-cyclopropyl-N'-nonylethane-1,2-diamine
CID 61349746
N'-cyclopropyl-N'-hexylpropane-1,3-diamine
CID 43137504
N-(4-methoxybutyl)-N-propylpiperidin-4-amine
CID 115741630
N-[3-(2-methoxyethoxy)propyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 103411042
N'-butyl-N'-cyclopropylethane-1,2-diamine
CID 61349574
3-[butyl(cyclopropyl)amino]propan-1-ol
CID 60969534

Frequently Asked Questions

What is the IUPAC name of N-(3-pentoxypropyl)-N-propylcyclopropanamine?
The IUPAC name of N-(3-pentoxypropyl)-N-propylcyclopropanamine (CID 156795180) is N-(3-pentoxypropyl)-N-propylcyclopropanamine.
What is the SMILES notation for N-(3-pentoxypropyl)-N-propylcyclopropanamine?
The canonical SMILES for N-(3-pentoxypropyl)-N-propylcyclopropanamine is CCCCCOCCCN(CCC)C1CC1.
What is the InChIKey of N-(3-pentoxypropyl)-N-propylcyclopropanamine?
The InChIKey is CTVXEQGRTWYDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-5-6-12-16-13-7-11-15(10-4-2)14-8-9-14/h14H,3-13H2,1-2H3.
What are the key properties of N-(3-pentoxypropyl)-N-propylcyclopropanamine?
N-(3-pentoxypropyl)-N-propylcyclopropanamine has a molecular weight of 227.39 g/mol, XLogP of 3.46, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pentoxypropyl)-N-propylcyclopropanamine is sourced from PubChem (CID 156795180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).