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

C17H29NO — CID 142389471

IUPACN-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
InChIInChI=1S/C17H29NO/c1-7-18(16-8-10-19-11-9-16)17(12-13(2)3)15(6)14(4)5/h12,16H,2,7-11H2,1,3-6H3/b17-12+
InChIKeySWEDXNPMPMXESV-SFQUDFHCSA-N
MW263.43 g/mol
LogP4.30
Rot. Bonds5

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

N-ethyl-N-[(3E)-2,5,6-trimethylhepta-1,3,5-trien-4-yl]oxan-4-amine (PubChem CID 142389471) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-ethyl-N-[(3E)-2,5,6-trimethylhepta-1,3,5-trien-4-yl]oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-N-[(3E)-2,5,6-trimethylhepta-1,3,5-trien-4-yl]oxan-4-amine
PubChem CID142389471
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-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
InChIInChI=1S/C17H29NO/c1-7-18(16-8-10-19-11-9-16)17(12-13(2)3)15(6)14(4)5/h12,16H,2,7-11H2,1,3-6H3/b17-12+
InChIKeySWEDXNPMPMXESV-SFQUDFHCSA-N
XLogP4.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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
1-[(1Z,3Z)-1-fluoro-5-methylhexa-1,3,5-trien-2-yl]-4-(oxan-4-yl)piperazine
CID 139353776
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
ethane;N-ethyl-N-[(3E)-2,5,6-trimethylhepta-1,3,5-trien-4-yl]oxan-4-amine
CID 142389470
(3E,5Z)-N-(5-ethoxypentan-2-yl)-N-methylocta-1,3,5-trien-4-amine
CID 144254783
N-ethyl-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]oxan-4-amine
CID 144610641
N-ethyl-N-(4-methylpenta-1,3-dien-3-yl)oxan-4-amine
CID 144610740
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3E)-2,5,6-trimethylhepta-1,3,5-trien-4-yl]oxan-4-amine?
The IUPAC name of N-ethyl-N-[(3E)-2,5,6-trimethylhepta-1,3,5-trien-4-yl]oxan-4-amine (CID 142389471) is N-ethyl-N-[(3E)-2,5,6-trimethylhepta-1,3,5-trien-4-yl]oxan-4-amine.
What is the SMILES notation for N-ethyl-N-[(3E)-2,5,6-trimethylhepta-1,3,5-trien-4-yl]oxan-4-amine?
The canonical SMILES for 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.
What is the InChIKey of N-ethyl-N-[(3E)-2,5,6-trimethylhepta-1,3,5-trien-4-yl]oxan-4-amine?
The InChIKey is SWEDXNPMPMXESV-SFQUDFHCSA-N. The full InChI is InChI=1S/C17H29NO/c1-7-18(16-8-10-19-11-9-16)17(12-13(2)3)15(6)14(4)5/h12,16H,2,7-11H2,1,3-6H3/b17-12+.
What are the key properties of N-ethyl-N-[(3E)-2,5,6-trimethylhepta-1,3,5-trien-4-yl]oxan-4-amine?
N-ethyl-N-[(3E)-2,5,6-trimethylhepta-1,3,5-trien-4-yl]oxan-4-amine has a molecular weight of 263.43 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3E)-2,5,6-trimethylhepta-1,3,5-trien-4-yl]oxan-4-amine is sourced from PubChem (CID 142389471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).