N-(3-butoxypropyl)-N-(2-methylpropyl)cyclopropanamine

C14H29NO — CID 153390629

IUPACN-(3-butoxypropyl)-N-(2-methylpropyl)cyclopropanamine
SMILESCCCCOCCCN(CC(C)C)C1CC1
InChIInChI=1S/C14H29NO/c1-4-5-10-16-11-6-9-15(12-13(2)3)14-7-8-14/h13-14H,4-12H2,1-3H3
InChIKeyYTVZXIZPBHLMIU-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.31
Rot. Bonds10

About N-(3-butoxypropyl)-N-(2-methylpropyl)cyclopropanamine

N-(3-butoxypropyl)-N-(2-methylpropyl)cyclopropanamine (PubChem CID 153390629) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-(3-butoxypropyl)-N-(2-methylpropyl)cyclopropanamine.

Molecular Properties

Compound NameN-(3-butoxypropyl)-N-(2-methylpropyl)cyclopropanamine
PubChem CID153390629
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-(3-butoxypropyl)-N-(2-methylpropyl)cyclopropanamine
SMILESCCCCOCCCN(CC(C)C)C1CC1
InChIInChI=1S/C14H29NO/c1-4-5-10-16-11-6-9-15(12-13(2)3)14-7-8-14/h13-14H,4-12H2,1-3H3
InChIKeyYTVZXIZPBHLMIU-UHFFFAOYSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.31
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-(2-methylpropyl)cyclopropanamine?
The IUPAC name of N-(3-butoxypropyl)-N-(2-methylpropyl)cyclopropanamine (CID 153390629) is N-(3-butoxypropyl)-N-(2-methylpropyl)cyclopropanamine.
What is the SMILES notation for N-(3-butoxypropyl)-N-(2-methylpropyl)cyclopropanamine?
The canonical SMILES for N-(3-butoxypropyl)-N-(2-methylpropyl)cyclopropanamine is CCCCOCCCN(CC(C)C)C1CC1.
What is the InChIKey of N-(3-butoxypropyl)-N-(2-methylpropyl)cyclopropanamine?
The InChIKey is YTVZXIZPBHLMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-5-10-16-11-6-9-15(12-13(2)3)14-7-8-14/h13-14H,4-12H2,1-3H3.
What are the key properties of N-(3-butoxypropyl)-N-(2-methylpropyl)cyclopropanamine?
N-(3-butoxypropyl)-N-(2-methylpropyl)cyclopropanamine has a molecular weight of 227.39 g/mol, XLogP of 3.31, 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-(2-methylpropyl)cyclopropanamine is sourced from PubChem (CID 153390629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).