(2E)-N-[2-[(4R)-2-ethyl-4-[(3E)-hexa-1,3,5-trien-3-yl]-2-methyloxan-4-yl]ethyl]-2-ethylidene-4-methylpent-3-en-1-amine

C24H39NO — CID 146248084

IUPAC(2E)-N-[2-[(4R)-2-ethyl-4-[(3E)-hexa-1,3,5-trien-3-yl]-2-methyloxan-4-yl]ethyl]-2-ethylidene-4-methylpent-3-en-1-amine
SMILESC=C/C=C(\C=C)[C@]1(CCNC/C(C=C(C)C)=C/C)CCOC(C)(CC)C1
InChIInChI=1S/C24H39NO/c1-8-12-22(10-3)24(14-16-26-23(7,11-4)19-24)13-15-25-18-21(9-2)17-20(5)6/h8-10,12,17,25H,1,3,11,13-16,18-19H2,2,4-7H3/b21-9+,22-12+/t23?,24-/m1/s1
InChIKeyYLDVEAOUVUUHFY-NQLSGJJVSA-N
MW357.58 g/mol
LogP6.14
Rot. Bonds10

About (2E)-N-[2-[(4R)-2-ethyl-4-[(3E)-hexa-1,3,5-trien-3-yl]-2-methyloxan-4-yl]ethyl]-2-ethylidene-4-methylpent-3-en-1-amine

(2E)-N-[2-[(4R)-2-ethyl-4-[(3E)-hexa-1,3,5-trien-3-yl]-2-methyloxan-4-yl]ethyl]-2-ethylidene-4-methylpent-3-en-1-amine (PubChem CID 146248084) has the molecular formula C24H39NO and a molecular weight of 357.58 g/mol. Its IUPAC name is (2E)-N-[2-[(4R)-2-ethyl-4-[(3E)-hexa-1,3,5-trien-3-yl]-2-methyloxan-4-yl]ethyl]-2-ethylidene-4-methylpent-3-en-1-amine.

Molecular Properties

Compound Name(2E)-N-[2-[(4R)-2-ethyl-4-[(3E)-hexa-1,3,5-trien-3-yl]-2-methyloxan-4-yl]ethyl]-2-ethylidene-4-methylpent-3-en-1-amine
PubChem CID146248084
Molecular FormulaC24H39NO
Molecular Weight357.58 g/mol
Exact Mass357.30
IUPAC Name(2E)-N-[2-[(4R)-2-ethyl-4-[(3E)-hexa-1,3,5-trien-3-yl]-2-methyloxan-4-yl]ethyl]-2-ethylidene-4-methylpent-3-en-1-amine
SMILESC=C/C=C(\C=C)[C@]1(CCNC/C(C=C(C)C)=C/C)CCOC(C)(CC)C1
InChIInChI=1S/C24H39NO/c1-8-12-22(10-3)24(14-16-26-23(7,11-4)19-24)13-15-25-18-21(9-2)17-20(5)6/h8-10,12,17,25H,1,3,11,13-16,18-19H2,2,4-7H3/b21-9+,22-12+/t23?,24-/m1/s1
InChIKeyYLDVEAOUVUUHFY-NQLSGJJVSA-N
XLogP6.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.58
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E)-N-[2-[(4R)-2-ethyl-4-[(3E)-hexa-1,3,5-trien-3-yl]-2-methyloxan-4-yl]ethyl]-2-ethylidene-4-methylpent-3-en-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-[2-[(4R)-2-ethyl-4-[(3E)-hexa-1,3,5-trien-3-yl]-2-methyloxan-4-yl]ethyl]-2-ethylidene-4-methylpent-3-en-1-amine?
The IUPAC name of (2E)-N-[2-[(4R)-2-ethyl-4-[(3E)-hexa-1,3,5-trien-3-yl]-2-methyloxan-4-yl]ethyl]-2-ethylidene-4-methylpent-3-en-1-amine (CID 146248084) is (2E)-N-[2-[(4R)-2-ethyl-4-[(3E)-hexa-1,3,5-trien-3-yl]-2-methyloxan-4-yl]ethyl]-2-ethylidene-4-methylpent-3-en-1-amine.
What is the SMILES notation for (2E)-N-[2-[(4R)-2-ethyl-4-[(3E)-hexa-1,3,5-trien-3-yl]-2-methyloxan-4-yl]ethyl]-2-ethylidene-4-methylpent-3-en-1-amine?
The canonical SMILES for (2E)-N-[2-[(4R)-2-ethyl-4-[(3E)-hexa-1,3,5-trien-3-yl]-2-methyloxan-4-yl]ethyl]-2-ethylidene-4-methylpent-3-en-1-amine is C=C/C=C(\C=C)[C@]1(CCNC/C(C=C(C)C)=C/C)CCOC(C)(CC)C1.
What is the InChIKey of (2E)-N-[2-[(4R)-2-ethyl-4-[(3E)-hexa-1,3,5-trien-3-yl]-2-methyloxan-4-yl]ethyl]-2-ethylidene-4-methylpent-3-en-1-amine?
The InChIKey is YLDVEAOUVUUHFY-NQLSGJJVSA-N. The full InChI is InChI=1S/C24H39NO/c1-8-12-22(10-3)24(14-16-26-23(7,11-4)19-24)13-15-25-18-21(9-2)17-20(5)6/h8-10,12,17,25H,1,3,11,13-16,18-19H2,2,4-7H3/b21-9+,22-12+/t23?,24-/m1/s1.
What are the key properties of (2E)-N-[2-[(4R)-2-ethyl-4-[(3E)-hexa-1,3,5-trien-3-yl]-2-methyloxan-4-yl]ethyl]-2-ethylidene-4-methylpent-3-en-1-amine?
(2E)-N-[2-[(4R)-2-ethyl-4-[(3E)-hexa-1,3,5-trien-3-yl]-2-methyloxan-4-yl]ethyl]-2-ethylidene-4-methylpent-3-en-1-amine has a molecular weight of 357.58 g/mol, XLogP of 6.14, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[2-[(4R)-2-ethyl-4-[(3E)-hexa-1,3,5-trien-3-yl]-2-methyloxan-4-yl]ethyl]-2-ethylidene-4-methylpent-3-en-1-amine is sourced from PubChem (CID 146248084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).