N-tert-butyl-3-[(2E,4Z)-5-ethenylocta-2,4-dien-3-yl]oxycyclobutan-1-amine

C18H31NO — CID 166996737

IUPACN-tert-butyl-3-[(2E,4Z)-5-ethenylocta-2,4-dien-3-yl]oxycyclobutan-1-amine
SMILESC=C/C(=C\C(=C/C)OC1CC(NC(C)(C)C)C1)CCC
InChIInChI=1S/C18H31NO/c1-7-10-14(8-2)11-16(9-3)20-17-12-15(13-17)19-18(4,5)6/h8-9,11,15,17,19H,2,7,10,12-13H2,1,3-6H3/b14-11+,16-9+
InChIKeyRFGUEEVFOGQSAX-CBYOLGTLSA-N
MW277.45 g/mol
LogP4.74
Rot. Bonds7

About N-tert-butyl-3-[(2E,4Z)-5-ethenylocta-2,4-dien-3-yl]oxycyclobutan-1-amine

N-tert-butyl-3-[(2E,4Z)-5-ethenylocta-2,4-dien-3-yl]oxycyclobutan-1-amine (PubChem CID 166996737) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-tert-butyl-3-[(2E,4Z)-5-ethenylocta-2,4-dien-3-yl]oxycyclobutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-[(2E,4Z)-5-ethenylocta-2,4-dien-3-yl]oxycyclobutan-1-amine
PubChem CID166996737
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-tert-butyl-3-[(2E,4Z)-5-ethenylocta-2,4-dien-3-yl]oxycyclobutan-1-amine
SMILESC=C/C(=C\C(=C/C)OC1CC(NC(C)(C)C)C1)CCC
InChIInChI=1S/C18H31NO/c1-7-10-14(8-2)11-16(9-3)20-17-12-15(13-17)19-18(4,5)6/h8-9,11,15,17,19H,2,7,10,12-13H2,1,3-6H3/b14-11+,16-9+
InChIKeyRFGUEEVFOGQSAX-CBYOLGTLSA-N
XLogP4.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(2E,4Z)-5-ethenylocta-2,4-dien-3-yl]oxycyclobutan-1-amine?
The IUPAC name of N-tert-butyl-3-[(2E,4Z)-5-ethenylocta-2,4-dien-3-yl]oxycyclobutan-1-amine (CID 166996737) is N-tert-butyl-3-[(2E,4Z)-5-ethenylocta-2,4-dien-3-yl]oxycyclobutan-1-amine.
What is the SMILES notation for N-tert-butyl-3-[(2E,4Z)-5-ethenylocta-2,4-dien-3-yl]oxycyclobutan-1-amine?
The canonical SMILES for N-tert-butyl-3-[(2E,4Z)-5-ethenylocta-2,4-dien-3-yl]oxycyclobutan-1-amine is C=C/C(=C\C(=C/C)OC1CC(NC(C)(C)C)C1)CCC.
What is the InChIKey of N-tert-butyl-3-[(2E,4Z)-5-ethenylocta-2,4-dien-3-yl]oxycyclobutan-1-amine?
The InChIKey is RFGUEEVFOGQSAX-CBYOLGTLSA-N. The full InChI is InChI=1S/C18H31NO/c1-7-10-14(8-2)11-16(9-3)20-17-12-15(13-17)19-18(4,5)6/h8-9,11,15,17,19H,2,7,10,12-13H2,1,3-6H3/b14-11+,16-9+.
What are the key properties of N-tert-butyl-3-[(2E,4Z)-5-ethenylocta-2,4-dien-3-yl]oxycyclobutan-1-amine?
N-tert-butyl-3-[(2E,4Z)-5-ethenylocta-2,4-dien-3-yl]oxycyclobutan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(2E,4Z)-5-ethenylocta-2,4-dien-3-yl]oxycyclobutan-1-amine is sourced from PubChem (CID 166996737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).