(2Z,4Z)-N-(2-ethoxyethyl)-4-methylocta-2,4,7-trien-1-amine

C13H23NO — CID 142857865

IUPAC(2Z,4Z)-N-(2-ethoxyethyl)-4-methylocta-2,4,7-trien-1-amine
SMILESC=CC/C=C(C)\C=C/CNCCOCC
InChIInChI=1S/C13H23NO/c1-4-6-8-13(3)9-7-10-14-11-12-15-5-2/h4,7-9,14H,1,5-6,10-12H2,2-3H3/b9-7-,13-8-
InChIKeyGZZZBDSMMCIATR-XFSHKZRWSA-N
MW209.33 g/mol
LogP2.69
Rot. Bonds9

About (2Z,4Z)-N-(2-ethoxyethyl)-4-methylocta-2,4,7-trien-1-amine

(2Z,4Z)-N-(2-ethoxyethyl)-4-methylocta-2,4,7-trien-1-amine (PubChem CID 142857865) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (2Z,4Z)-N-(2-ethoxyethyl)-4-methylocta-2,4,7-trien-1-amine.

Molecular Properties

Compound Name(2Z,4Z)-N-(2-ethoxyethyl)-4-methylocta-2,4,7-trien-1-amine
PubChem CID142857865
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(2Z,4Z)-N-(2-ethoxyethyl)-4-methylocta-2,4,7-trien-1-amine
SMILESC=CC/C=C(C)\C=C/CNCCOCC
InChIInChI=1S/C13H23NO/c1-4-6-8-13(3)9-7-10-14-11-12-15-5-2/h4,7-9,14H,1,5-6,10-12H2,2-3H3/b9-7-,13-8-
InChIKeyGZZZBDSMMCIATR-XFSHKZRWSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-N-(2-tert-butoxyethyl)-3,7-dimethyl-octa-2,6-dien-1-amine
CID 90676161
(3E,5E)-3-ethenyl-6-fluoro-N-(2-methoxyethyl)hepta-3,5-dien-2-amine
CID 144147423
N-[2-[(3E,5E)-6-fluorohepta-3,5-dien-3-yl]oxyethyl]prop-2-en-1-amine
CID 145018088
N-(2-ethoxyethyl)-3-methylbut-2-en-1-amine
CID 60061035
(2E,3Z)-2-ethylidene-N-[(2R)-1-methoxypropan-2-yl]-5-methylhexa-3,5-dien-1-amine
CID 88268271
2-[[(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]amino]ethanol
CID 88544382
(2E,3Z)-N-(2,2-dimethoxyethyl)-2-ethylidene-5-methylhexa-3,5-dien-1-amine
CID 88853616
(3E,5E)-5-N-(2-methoxyethyl)-2-methylhepta-1,3,5-triene-3,5-diamine
CID 88899433
(E,2Z)-1-N-(2-methoxyethyl)-2-prop-2-enylidenepent-3-ene-1,3-diamine
CID 88905153
N-(cyclohexa-1,3-dien-1-ylmethyl)-2-methoxyethanamine
CID 89311458
2-[[(Z)-2-methylidenepent-3-enyl]amino]ethanol
CID 89861478
2-[[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]amino]ethanol
CID 90130168

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-N-(2-ethoxyethyl)-4-methylocta-2,4,7-trien-1-amine?
The IUPAC name of (2Z,4Z)-N-(2-ethoxyethyl)-4-methylocta-2,4,7-trien-1-amine (CID 142857865) is (2Z,4Z)-N-(2-ethoxyethyl)-4-methylocta-2,4,7-trien-1-amine.
What is the SMILES notation for (2Z,4Z)-N-(2-ethoxyethyl)-4-methylocta-2,4,7-trien-1-amine?
The canonical SMILES for (2Z,4Z)-N-(2-ethoxyethyl)-4-methylocta-2,4,7-trien-1-amine is C=CC/C=C(C)\C=C/CNCCOCC.
What is the InChIKey of (2Z,4Z)-N-(2-ethoxyethyl)-4-methylocta-2,4,7-trien-1-amine?
The InChIKey is GZZZBDSMMCIATR-XFSHKZRWSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-6-8-13(3)9-7-10-14-11-12-15-5-2/h4,7-9,14H,1,5-6,10-12H2,2-3H3/b9-7-,13-8-.
What are the key properties of (2Z,4Z)-N-(2-ethoxyethyl)-4-methylocta-2,4,7-trien-1-amine?
(2Z,4Z)-N-(2-ethoxyethyl)-4-methylocta-2,4,7-trien-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-N-(2-ethoxyethyl)-4-methylocta-2,4,7-trien-1-amine is sourced from PubChem (CID 142857865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).