N-(3-butoxypropyl)-N-methylcyclopropanamine

C11H23NO — CID 156794680

IUPACN-(3-butoxypropyl)-N-methylcyclopropanamine
SMILESCCCCOCCCN(C)C1CC1
InChIInChI=1S/C11H23NO/c1-3-4-9-13-10-5-8-12(2)11-6-7-11/h11H,3-10H2,1-2H3
InChIKeyPBDHZPNJTIMBCF-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.29
Rot. Bonds8

About N-(3-butoxypropyl)-N-methylcyclopropanamine

N-(3-butoxypropyl)-N-methylcyclopropanamine (PubChem CID 156794680) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-(3-butoxypropyl)-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-(3-butoxypropyl)-N-methylcyclopropanamine
PubChem CID156794680
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-(3-butoxypropyl)-N-methylcyclopropanamine
SMILESCCCCOCCCN(C)C1CC1
InChIInChI=1S/C11H23NO/c1-3-4-9-13-10-5-8-12(2)11-6-7-11/h11H,3-10H2,1-2H3
InChIKeyPBDHZPNJTIMBCF-UHFFFAOYSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.29
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-methylcyclopropanamine?
The IUPAC name of N-(3-butoxypropyl)-N-methylcyclopropanamine (CID 156794680) is N-(3-butoxypropyl)-N-methylcyclopropanamine.
What is the SMILES notation for N-(3-butoxypropyl)-N-methylcyclopropanamine?
The canonical SMILES for N-(3-butoxypropyl)-N-methylcyclopropanamine is CCCCOCCCN(C)C1CC1.
What is the InChIKey of N-(3-butoxypropyl)-N-methylcyclopropanamine?
The InChIKey is PBDHZPNJTIMBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-4-9-13-10-5-8-12(2)11-6-7-11/h11H,3-10H2,1-2H3.
What are the key properties of N-(3-butoxypropyl)-N-methylcyclopropanamine?
N-(3-butoxypropyl)-N-methylcyclopropanamine has a molecular weight of 185.31 g/mol, XLogP of 2.29, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-N-methylcyclopropanamine is sourced from PubChem (CID 156794680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).