N-ethyl-3-[(3Z,5Z)-5-ethylidene-8,8-dimethylnona-1,3-dien-2-yl]oxycyclobutan-1-amine

C19H33NO — CID 166996742

IUPACN-ethyl-3-[(3Z,5Z)-5-ethylidene-8,8-dimethylnona-1,3-dien-2-yl]oxycyclobutan-1-amine
SMILESC=C(/C=C\C(=C/C)CCC(C)(C)C)OC1CC(NCC)C1
InChIInChI=1S/C19H33NO/c1-7-16(11-12-19(4,5)6)10-9-15(3)21-18-13-17(14-18)20-8-2/h7,9-10,17-18,20H,3,8,11-14H2,1-2,4-6H3/b10-9-,16-7+
InChIKeyKSJRMOYRGXIFRR-ZWNLQZFLSA-N
MW291.48 g/mol
LogP4.99
Rot. Bonds8

About N-ethyl-3-[(3Z,5Z)-5-ethylidene-8,8-dimethylnona-1,3-dien-2-yl]oxycyclobutan-1-amine

N-ethyl-3-[(3Z,5Z)-5-ethylidene-8,8-dimethylnona-1,3-dien-2-yl]oxycyclobutan-1-amine (PubChem CID 166996742) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-ethyl-3-[(3Z,5Z)-5-ethylidene-8,8-dimethylnona-1,3-dien-2-yl]oxycyclobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[(3Z,5Z)-5-ethylidene-8,8-dimethylnona-1,3-dien-2-yl]oxycyclobutan-1-amine
PubChem CID166996742
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-ethyl-3-[(3Z,5Z)-5-ethylidene-8,8-dimethylnona-1,3-dien-2-yl]oxycyclobutan-1-amine
SMILESC=C(/C=C\C(=C/C)CCC(C)(C)C)OC1CC(NCC)C1
InChIInChI=1S/C19H33NO/c1-7-16(11-12-19(4,5)6)10-9-15(3)21-18-13-17(14-18)20-8-2/h7,9-10,17-18,20H,3,8,11-14H2,1-2,4-6H3/b10-9-,16-7+
InChIKeyKSJRMOYRGXIFRR-ZWNLQZFLSA-N
XLogP4.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.99
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-ethyl-3-[(3Z,5Z)-5-ethylidene-8,8-dimethylnona-1,3-dien-2-yl]oxycyclobutan-1-amine?
The IUPAC name of N-ethyl-3-[(3Z,5Z)-5-ethylidene-8,8-dimethylnona-1,3-dien-2-yl]oxycyclobutan-1-amine (CID 166996742) is N-ethyl-3-[(3Z,5Z)-5-ethylidene-8,8-dimethylnona-1,3-dien-2-yl]oxycyclobutan-1-amine.
What is the SMILES notation for N-ethyl-3-[(3Z,5Z)-5-ethylidene-8,8-dimethylnona-1,3-dien-2-yl]oxycyclobutan-1-amine?
The canonical SMILES for N-ethyl-3-[(3Z,5Z)-5-ethylidene-8,8-dimethylnona-1,3-dien-2-yl]oxycyclobutan-1-amine is C=C(/C=C\C(=C/C)CCC(C)(C)C)OC1CC(NCC)C1.
What is the InChIKey of N-ethyl-3-[(3Z,5Z)-5-ethylidene-8,8-dimethylnona-1,3-dien-2-yl]oxycyclobutan-1-amine?
The InChIKey is KSJRMOYRGXIFRR-ZWNLQZFLSA-N. The full InChI is InChI=1S/C19H33NO/c1-7-16(11-12-19(4,5)6)10-9-15(3)21-18-13-17(14-18)20-8-2/h7,9-10,17-18,20H,3,8,11-14H2,1-2,4-6H3/b10-9-,16-7+.
What are the key properties of N-ethyl-3-[(3Z,5Z)-5-ethylidene-8,8-dimethylnona-1,3-dien-2-yl]oxycyclobutan-1-amine?
N-ethyl-3-[(3Z,5Z)-5-ethylidene-8,8-dimethylnona-1,3-dien-2-yl]oxycyclobutan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(3Z,5Z)-5-ethylidene-8,8-dimethylnona-1,3-dien-2-yl]oxycyclobutan-1-amine is sourced from PubChem (CID 166996742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).