N-ethyl-N-[[(3Z,5E,7E,10E)-7-methoxy-5-methyl-4-prop-1-en-2-yl-1-oxacycloundeca-3,5,7,10-tetraen-3-yl]methyl]butan-1-amine

C22H35NO2 — CID 144829959

IUPACN-ethyl-N-[[(3Z,5E,7E,10E)-7-methoxy-5-methyl-4-prop-1-en-2-yl-1-oxacycloundeca-3,5,7,10-tetraen-3-yl]methyl]butan-1-amine
SMILESC=C(C)C1=C(\CN(CC)CCCC)CO/C=C/C/C=C(OC)/C=C\1C
InChIInChI=1S/C22H35NO2/c1-7-9-13-23(8-2)16-20-17-25-14-11-10-12-21(24-6)15-19(5)22(20)18(3)4/h11-12,14-15H,3,7-10,13,16-17H2,1-2,4-6H3/b14-11+,19-15+,21-12+,22-20-
InChIKeyMMCBACXZLLOGPW-HJBZYSOVSA-N
MW345.53 g/mol
LogP5.39
Rot. Bonds8

About N-ethyl-N-[[(3Z,5E,7E,10E)-7-methoxy-5-methyl-4-prop-1-en-2-yl-1-oxacycloundeca-3,5,7,10-tetraen-3-yl]methyl]butan-1-amine

N-ethyl-N-[[(3Z,5E,7E,10E)-7-methoxy-5-methyl-4-prop-1-en-2-yl-1-oxacycloundeca-3,5,7,10-tetraen-3-yl]methyl]butan-1-amine (PubChem CID 144829959) has the molecular formula C22H35NO2 and a molecular weight of 345.53 g/mol. Its IUPAC name is N-ethyl-N-[[(3Z,5E,7E,10E)-7-methoxy-5-methyl-4-prop-1-en-2-yl-1-oxacycloundeca-3,5,7,10-tetraen-3-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[[(3Z,5E,7E,10E)-7-methoxy-5-methyl-4-prop-1-en-2-yl-1-oxacycloundeca-3,5,7,10-tetraen-3-yl]methyl]butan-1-amine
PubChem CID144829959
Molecular FormulaC22H35NO2
Molecular Weight345.53 g/mol
Exact Mass345.27
IUPAC NameN-ethyl-N-[[(3Z,5E,7E,10E)-7-methoxy-5-methyl-4-prop-1-en-2-yl-1-oxacycloundeca-3,5,7,10-tetraen-3-yl]methyl]butan-1-amine
SMILESC=C(C)C1=C(\CN(CC)CCCC)CO/C=C/C/C=C(OC)/C=C\1C
InChIInChI=1S/C22H35NO2/c1-7-9-13-23(8-2)16-20-17-25-14-11-10-12-21(24-6)15-19(5)22(20)18(3)4/h11-12,14-15H,3,7-10,13,16-17H2,1-2,4-6H3/b14-11+,19-15+,21-12+,22-20-
InChIKeyMMCBACXZLLOGPW-HJBZYSOVSA-N
XLogP5.39
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.53
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-ethyl-N-[[(3Z,5E,7E,10E)-7-methoxy-5-methyl-4-prop-1-en-2-yl-1-oxacycloundeca-3,5,7,10-tetraen-3-yl]methyl]butan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

4-[(E)-2-(2,3-dihydrofuran-2-yl)ethenyl]-1-methyl-3,6-dihydro-2H-pyridine
CID 88982036
(3E,4Z)-3-[[(2E,4E)-hexa-2,4-dienoxy]methylidene]-N-prop-2-enyl-N-propylhepta-4,6-dien-1-amine
CID 118059284
2-(4-ethoxypenta-2,4-dien-2-yl)-1,5-dimethyl-4-prop-1-enyl-3,6-dihydro-2H-pyridine
CID 123719607
3-[Ethyl(methyl)amino]propyl-[(3-methoxycyclohexa-1,3-dien-1-yl)methyl]-dimethylazanium
CID 123996601
(1Z,7Z)-N-(3-methoxypropyl)-N,2-dimethyl-6-(2-methylbutoxy)nona-1,5,7-trien-1-amine
CID 126583476
N-hexyl-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]hexan-1-amine
CID 138518670
(5E)-N-butyl-7-methoxy-N-methyl-4-methylideneocta-5,7-dien-1-amine
CID 139419803
N-methyl-N-[[(3Z,5Z,9E)-2-methyl-8-methylidene-2,7-dihydrooxecin-9-yl]methyl]prop-2-en-1-amine
CID 139539958
N-methyl-3-[(3E,5E)-6-methylnona-1,3,5-trien-3-yl]oxy-N-propylpropan-1-amine
CID 141842638
acetylene;(Z,2Z)-N-butyl-2-(1-methoxyethylidene)-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine;ethane;propane
CID 142550030
1-[3-[(3E,5E)-6-(4-methoxycyclohepta-1,3,6-trien-1-yl)hepta-1,3,5-trien-3-yl]oxypropyl]piperidine
CID 143322472
(3Z,5Z,6Z)-N,N,4-trimethyl-5-[1-(7-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-2-ylidene]nona-3,6-dien-1-amine
CID 144226532

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[(3Z,5E,7E,10E)-7-methoxy-5-methyl-4-prop-1-en-2-yl-1-oxacycloundeca-3,5,7,10-tetraen-3-yl]methyl]butan-1-amine?
The IUPAC name of N-ethyl-N-[[(3Z,5E,7E,10E)-7-methoxy-5-methyl-4-prop-1-en-2-yl-1-oxacycloundeca-3,5,7,10-tetraen-3-yl]methyl]butan-1-amine (CID 144829959) is N-ethyl-N-[[(3Z,5E,7E,10E)-7-methoxy-5-methyl-4-prop-1-en-2-yl-1-oxacycloundeca-3,5,7,10-tetraen-3-yl]methyl]butan-1-amine.
What is the SMILES notation for N-ethyl-N-[[(3Z,5E,7E,10E)-7-methoxy-5-methyl-4-prop-1-en-2-yl-1-oxacycloundeca-3,5,7,10-tetraen-3-yl]methyl]butan-1-amine?
The canonical SMILES for N-ethyl-N-[[(3Z,5E,7E,10E)-7-methoxy-5-methyl-4-prop-1-en-2-yl-1-oxacycloundeca-3,5,7,10-tetraen-3-yl]methyl]butan-1-amine is C=C(C)C1=C(\CN(CC)CCCC)CO/C=C/C/C=C(OC)/C=C\1C.
What is the InChIKey of N-ethyl-N-[[(3Z,5E,7E,10E)-7-methoxy-5-methyl-4-prop-1-en-2-yl-1-oxacycloundeca-3,5,7,10-tetraen-3-yl]methyl]butan-1-amine?
The InChIKey is MMCBACXZLLOGPW-HJBZYSOVSA-N. The full InChI is InChI=1S/C22H35NO2/c1-7-9-13-23(8-2)16-20-17-25-14-11-10-12-21(24-6)15-19(5)22(20)18(3)4/h11-12,14-15H,3,7-10,13,16-17H2,1-2,4-6H3/b14-11+,19-15+,21-12+,22-20-.
What are the key properties of N-ethyl-N-[[(3Z,5E,7E,10E)-7-methoxy-5-methyl-4-prop-1-en-2-yl-1-oxacycloundeca-3,5,7,10-tetraen-3-yl]methyl]butan-1-amine?
N-ethyl-N-[[(3Z,5E,7E,10E)-7-methoxy-5-methyl-4-prop-1-en-2-yl-1-oxacycloundeca-3,5,7,10-tetraen-3-yl]methyl]butan-1-amine has a molecular weight of 345.53 g/mol, XLogP of 5.39, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[(3Z,5E,7E,10E)-7-methoxy-5-methyl-4-prop-1-en-2-yl-1-oxacycloundeca-3,5,7,10-tetraen-3-yl]methyl]butan-1-amine is sourced from PubChem (CID 144829959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).