N-[(3E,5E)-5-ethyl-3-methylocta-3,5-dien-4-yl]oxan-4-amine

C16H29NO — CID 142373684

IUPACN-[(3E,5E)-5-ethyl-3-methylocta-3,5-dien-4-yl]oxan-4-amine
SMILESCC/C=C(CC)/C(NC1CCOCC1)=C(/C)CC
InChIInChI=1S/C16H29NO/c1-5-8-14(7-3)16(13(4)6-2)17-15-9-11-18-12-10-15/h8,15,17H,5-7,9-12H2,1-4H3/b14-8+,16-13+
InChIKeyUYDMKEKRRQTASQ-KBJOYVHUSA-N
MW251.41 g/mol
LogP4.19
Rot. Bonds6

About N-[(3E,5E)-5-ethyl-3-methylocta-3,5-dien-4-yl]oxan-4-amine

N-[(3E,5E)-5-ethyl-3-methylocta-3,5-dien-4-yl]oxan-4-amine (PubChem CID 142373684) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-[(3E,5E)-5-ethyl-3-methylocta-3,5-dien-4-yl]oxan-4-amine.

Molecular Properties

Compound NameN-[(3E,5E)-5-ethyl-3-methylocta-3,5-dien-4-yl]oxan-4-amine
PubChem CID142373684
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-[(3E,5E)-5-ethyl-3-methylocta-3,5-dien-4-yl]oxan-4-amine
SMILESCC/C=C(CC)/C(NC1CCOCC1)=C(/C)CC
InChIInChI=1S/C16H29NO/c1-5-8-14(7-3)16(13(4)6-2)17-15-9-11-18-12-10-15/h8,15,17H,5-7,9-12H2,1-4H3/b14-8+,16-13+
InChIKeyUYDMKEKRRQTASQ-KBJOYVHUSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,3E,5Z)-6-amino-5-[(3,3-difluorooxan-4-yl)amino]-2-ethylidene-4-prop-1-en-2-ylocta-3,5,7-trienenitrile
CID 142423707
N-(6-fluoro-4-methylcyclohexa-2,4-dien-1-yl)oxan-4-amine
CID 167114462
(Z)-2-(5-methyl-1,2-dihydropyridin-3-yl)-N-(oxan-4-yl)prop-1-ene-1,3-diamine
CID 118549012
N-[(3E)-4-methylhexa-1,3-dien-3-yl]oxan-4-amine
CID 134473571
N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxan-4-amine
CID 139317986
ethane;5-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-3-amine
CID 142345300
1,5-dimethyl-N-(oxan-4-yl)-2H-pyridin-3-amine;ethane
CID 142345328
methanamine;N-[(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dienyl]-N'-(oxan-4-yl)propane-1,3-diamine
CID 143378321
(2E,4E)-4-N-methyl-2-N-(oxan-4-ylmethyl)-3-prop-1-en-2-ylhepta-2,4,6-triene-2,4-diamine
CID 144055462
ethane;(2Z,4E,6Z)-6-(morpholin-3-ylmethyl)nona-2,4,6,8-tetraen-4-amine
CID 145575361
ethane;(2E,4Z,6Z)-4-(morpholin-3-ylmethyl)octa-2,4,6-trien-2-amine
CID 145575422
5-Ethyl-2-(oxan-4-ylamino)cyclohexa-1,5-diene-1-carbonitrile
CID 164034888

Frequently Asked Questions

What is the IUPAC name of N-[(3E,5E)-5-ethyl-3-methylocta-3,5-dien-4-yl]oxan-4-amine?
The IUPAC name of N-[(3E,5E)-5-ethyl-3-methylocta-3,5-dien-4-yl]oxan-4-amine (CID 142373684) is N-[(3E,5E)-5-ethyl-3-methylocta-3,5-dien-4-yl]oxan-4-amine.
What is the SMILES notation for N-[(3E,5E)-5-ethyl-3-methylocta-3,5-dien-4-yl]oxan-4-amine?
The canonical SMILES for N-[(3E,5E)-5-ethyl-3-methylocta-3,5-dien-4-yl]oxan-4-amine is CC/C=C(CC)/C(NC1CCOCC1)=C(/C)CC.
What is the InChIKey of N-[(3E,5E)-5-ethyl-3-methylocta-3,5-dien-4-yl]oxan-4-amine?
The InChIKey is UYDMKEKRRQTASQ-KBJOYVHUSA-N. The full InChI is InChI=1S/C16H29NO/c1-5-8-14(7-3)16(13(4)6-2)17-15-9-11-18-12-10-15/h8,15,17H,5-7,9-12H2,1-4H3/b14-8+,16-13+.
What are the key properties of N-[(3E,5E)-5-ethyl-3-methylocta-3,5-dien-4-yl]oxan-4-amine?
N-[(3E,5E)-5-ethyl-3-methylocta-3,5-dien-4-yl]oxan-4-amine has a molecular weight of 251.41 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5E)-5-ethyl-3-methylocta-3,5-dien-4-yl]oxan-4-amine is sourced from PubChem (CID 142373684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).