N-[2-[1-(4-propylphenoxy)cyclobutyl]ethyl]cyclopropanamine

C18H27NO — CID 103274011

IUPACN-[2-[1-(4-propylphenoxy)cyclobutyl]ethyl]cyclopropanamine
SMILESCCCc1ccc(OC2(CCNC3CC3)CCC2)cc1
InChIInChI=1S/C18H27NO/c1-2-4-15-5-9-17(10-6-15)20-18(11-3-12-18)13-14-19-16-7-8-16/h5-6,9-10,16,19H,2-4,7-8,11-14H2,1H3
InChIKeyIGYWZLSMXIMFJH-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.08
Rot. Bonds8

About N-[2-[1-(4-propylphenoxy)cyclobutyl]ethyl]cyclopropanamine

N-[2-[1-(4-propylphenoxy)cyclobutyl]ethyl]cyclopropanamine (PubChem CID 103274011) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[2-[1-(4-propylphenoxy)cyclobutyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[1-(4-propylphenoxy)cyclobutyl]ethyl]cyclopropanamine
PubChem CID103274011
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[2-[1-(4-propylphenoxy)cyclobutyl]ethyl]cyclopropanamine
SMILESCCCc1ccc(OC2(CCNC3CC3)CCC2)cc1
InChIInChI=1S/C18H27NO/c1-2-4-15-5-9-17(10-6-15)20-18(11-3-12-18)13-14-19-16-7-8-16/h5-6,9-10,16,19H,2-4,7-8,11-14H2,1H3
InChIKeyIGYWZLSMXIMFJH-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-propylphenoxy)cyclobutyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[1-(4-propylphenoxy)cyclobutyl]ethyl]cyclopropanamine (CID 103274011) is N-[2-[1-(4-propylphenoxy)cyclobutyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[1-(4-propylphenoxy)cyclobutyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[1-(4-propylphenoxy)cyclobutyl]ethyl]cyclopropanamine is CCCc1ccc(OC2(CCNC3CC3)CCC2)cc1.
What is the InChIKey of N-[2-[1-(4-propylphenoxy)cyclobutyl]ethyl]cyclopropanamine?
The InChIKey is IGYWZLSMXIMFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-2-4-15-5-9-17(10-6-15)20-18(11-3-12-18)13-14-19-16-7-8-16/h5-6,9-10,16,19H,2-4,7-8,11-14H2,1H3.
What are the key properties of N-[2-[1-(4-propylphenoxy)cyclobutyl]ethyl]cyclopropanamine?
N-[2-[1-(4-propylphenoxy)cyclobutyl]ethyl]cyclopropanamine has a molecular weight of 273.42 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-propylphenoxy)cyclobutyl]ethyl]cyclopropanamine is sourced from PubChem (CID 103274011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).