N-propyl-3-(6-propylcyclohepta-1,4,6-trien-1-yl)oxycyclobutan-1-amine

C17H27NO — CID 142368143

IUPACN-propyl-3-(6-propylcyclohepta-1,4,6-trien-1-yl)oxycyclobutan-1-amine
SMILESCCCNC1CC(OC2=CCC=CC(CCC)=C2)C1
InChIInChI=1S/C17H27NO/c1-3-7-14-8-5-6-9-16(11-14)19-17-12-15(13-17)18-10-4-2/h5,8-9,11,15,17-18H,3-4,6-7,10,12-13H2,1-2H3
InChIKeyDKMWLTMSRDRFEV-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.10
Rot. Bonds7

About N-propyl-3-(6-propylcyclohepta-1,4,6-trien-1-yl)oxycyclobutan-1-amine

N-propyl-3-(6-propylcyclohepta-1,4,6-trien-1-yl)oxycyclobutan-1-amine (PubChem CID 142368143) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-propyl-3-(6-propylcyclohepta-1,4,6-trien-1-yl)oxycyclobutan-1-amine.

Molecular Properties

Compound NameN-propyl-3-(6-propylcyclohepta-1,4,6-trien-1-yl)oxycyclobutan-1-amine
PubChem CID142368143
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-propyl-3-(6-propylcyclohepta-1,4,6-trien-1-yl)oxycyclobutan-1-amine
SMILESCCCNC1CC(OC2=CCC=CC(CCC)=C2)C1
InChIInChI=1S/C17H27NO/c1-3-7-14-8-5-6-9-16(11-14)19-17-12-15(13-17)18-10-4-2/h5,8-9,11,15,17-18H,3-4,6-7,10,12-13H2,1-2H3
InChIKeyDKMWLTMSRDRFEV-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(6-propylcyclohepta-1,4,6-trien-1-yl)oxycyclobutan-1-amine?
The IUPAC name of N-propyl-3-(6-propylcyclohepta-1,4,6-trien-1-yl)oxycyclobutan-1-amine (CID 142368143) is N-propyl-3-(6-propylcyclohepta-1,4,6-trien-1-yl)oxycyclobutan-1-amine.
What is the SMILES notation for N-propyl-3-(6-propylcyclohepta-1,4,6-trien-1-yl)oxycyclobutan-1-amine?
The canonical SMILES for N-propyl-3-(6-propylcyclohepta-1,4,6-trien-1-yl)oxycyclobutan-1-amine is CCCNC1CC(OC2=CCC=CC(CCC)=C2)C1.
What is the InChIKey of N-propyl-3-(6-propylcyclohepta-1,4,6-trien-1-yl)oxycyclobutan-1-amine?
The InChIKey is DKMWLTMSRDRFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-7-14-8-5-6-9-16(11-14)19-17-12-15(13-17)18-10-4-2/h5,8-9,11,15,17-18H,3-4,6-7,10,12-13H2,1-2H3.
What are the key properties of N-propyl-3-(6-propylcyclohepta-1,4,6-trien-1-yl)oxycyclobutan-1-amine?
N-propyl-3-(6-propylcyclohepta-1,4,6-trien-1-yl)oxycyclobutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(6-propylcyclohepta-1,4,6-trien-1-yl)oxycyclobutan-1-amine is sourced from PubChem (CID 142368143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).