ethane;N-ethyl-N-[(3E)-2,5,6-trimethylhepta-1,3,5-trien-4-yl]oxan-4-amine

C19H35NO — CID 142389470

IUPACethane;N-ethyl-N-[(3E)-2,5,6-trimethylhepta-1,3,5-trien-4-yl]oxan-4-amine
SMILESC=C(C)/C=C(\C(C)=C(C)C)N(CC)C1CCOCC1.CC
InChIInChI=1S/C17H29NO.C2H6/c1-7-18(16-8-10-19-11-9-16)17(12-13(2)3)15(6)14(4)5;1-2/h12,16H,2,7-11H2,1,3-6H3;1-2H3/b17-12+;
InChIKeyDCDNUQATHDDOAE-KCUXUEJTSA-N
MW293.50 g/mol
LogP5.33
Rot. Bonds5

About ethane;N-ethyl-N-[(3E)-2,5,6-trimethylhepta-1,3,5-trien-4-yl]oxan-4-amine

ethane;N-ethyl-N-[(3E)-2,5,6-trimethylhepta-1,3,5-trien-4-yl]oxan-4-amine (PubChem CID 142389470) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is ethane;N-ethyl-N-[(3E)-2,5,6-trimethylhepta-1,3,5-trien-4-yl]oxan-4-amine.

Molecular Properties

Compound Nameethane;N-ethyl-N-[(3E)-2,5,6-trimethylhepta-1,3,5-trien-4-yl]oxan-4-amine
PubChem CID142389470
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Nameethane;N-ethyl-N-[(3E)-2,5,6-trimethylhepta-1,3,5-trien-4-yl]oxan-4-amine
SMILESC=C(C)/C=C(\C(C)=C(C)C)N(CC)C1CCOCC1.CC
InChIInChI=1S/C17H29NO.C2H6/c1-7-18(16-8-10-19-11-9-16)17(12-13(2)3)15(6)14(4)5;1-2/h12,16H,2,7-11H2,1,3-6H3;1-2H3/b17-12+;
InChIKeyDCDNUQATHDDOAE-KCUXUEJTSA-N
XLogP5.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.50
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethane;N-ethyl-N-[(3E)-2,5,6-trimethylhepta-1,3,5-trien-4-yl]oxan-4-amine with MolForge

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Related Compounds

N-[(4E,6Z)-4,7-bis(ethenyl)-5-fluorodeca-1,4,6-trien-2-yl]-N-ethyloxan-4-amine
CID 129310140
5-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridine
CID 3306153
N-ethyl-N-[(3E)-2-methylpenta-1,3-dien-3-yl]oxan-4-amine
CID 130346796
N-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxan-4-amine
CID 139317767
1-ethenyl-N-ethyl-3-methyl-6-methylidene-N-(oxan-4-yl)pyridin-2-amine
CID 142300618
N-ethyl-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]oxan-4-amine
CID 144610641
N-ethyl-N-[(3E)-4-methylhexa-1,3-dien-3-yl]oxan-4-amine
CID 144610774
N-ethyl-N-[(E)-2-methylhex-3-en-3-yl]oxan-4-amine
CID 163665254
N-ethyl-N-[(3E)-2-methylhexa-1,3-dien-3-yl]oxan-4-amine
CID 166871542
N-methyl-N-[(4E)-2-methylhepta-2,4-dien-4-yl]oxan-4-amine
CID 170054123
N-ethyl-N-[(3E)-2,5,6-trimethylhepta-1,3,5-trien-4-yl]oxan-4-amine
CID 142389471

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N-[(3E)-2,5,6-trimethylhepta-1,3,5-trien-4-yl]oxan-4-amine?
The IUPAC name of ethane;N-ethyl-N-[(3E)-2,5,6-trimethylhepta-1,3,5-trien-4-yl]oxan-4-amine (CID 142389470) is ethane;N-ethyl-N-[(3E)-2,5,6-trimethylhepta-1,3,5-trien-4-yl]oxan-4-amine.
What is the SMILES notation for ethane;N-ethyl-N-[(3E)-2,5,6-trimethylhepta-1,3,5-trien-4-yl]oxan-4-amine?
The canonical SMILES for ethane;N-ethyl-N-[(3E)-2,5,6-trimethylhepta-1,3,5-trien-4-yl]oxan-4-amine is C=C(C)/C=C(\C(C)=C(C)C)N(CC)C1CCOCC1.CC.
What is the InChIKey of ethane;N-ethyl-N-[(3E)-2,5,6-trimethylhepta-1,3,5-trien-4-yl]oxan-4-amine?
The InChIKey is DCDNUQATHDDOAE-KCUXUEJTSA-N. The full InChI is InChI=1S/C17H29NO.C2H6/c1-7-18(16-8-10-19-11-9-16)17(12-13(2)3)15(6)14(4)5;1-2/h12,16H,2,7-11H2,1,3-6H3;1-2H3/b17-12+;.
What are the key properties of ethane;N-ethyl-N-[(3E)-2,5,6-trimethylhepta-1,3,5-trien-4-yl]oxan-4-amine?
ethane;N-ethyl-N-[(3E)-2,5,6-trimethylhepta-1,3,5-trien-4-yl]oxan-4-amine has a molecular weight of 293.50 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N-[(3E)-2,5,6-trimethylhepta-1,3,5-trien-4-yl]oxan-4-amine is sourced from PubChem (CID 142389470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).