(1S)-5-ethyl-3-[(E,6Z)-6-ethylidene-9-methyldec-3-en-2-yl]-4-methoxy-N,6-dimethylcyclohexa-2,4-dien-1-amine

C24H41NO — CID 174023376

IUPAC(1S)-5-ethyl-3-[(E,6Z)-6-ethylidene-9-methyldec-3-en-2-yl]-4-methoxy-N,6-dimethylcyclohexa-2,4-dien-1-amine
SMILESC/C=C(\C/C=C/C(C)C1=C[C@H](NC)C(C)C(CC)=C1OC)CCC(C)C
InChIInChI=1S/C24H41NO/c1-9-20(15-14-17(3)4)13-11-12-18(5)22-16-23(25-7)19(6)21(10-2)24(22)26-8/h9,11-12,16-19,23,25H,10,13-15H2,1-8H3/b12-11+,20-9+/t18?,19?,23-/m0/s1
InChIKeyITROWFGXCLYKEP-GYTOGZFVSA-N
MW359.60 g/mol
LogP6.43
Rot. Bonds10

About (1S)-5-ethyl-3-[(E,6Z)-6-ethylidene-9-methyldec-3-en-2-yl]-4-methoxy-N,6-dimethylcyclohexa-2,4-dien-1-amine

(1S)-5-ethyl-3-[(E,6Z)-6-ethylidene-9-methyldec-3-en-2-yl]-4-methoxy-N,6-dimethylcyclohexa-2,4-dien-1-amine (PubChem CID 174023376) has the molecular formula C24H41NO and a molecular weight of 359.60 g/mol. Its IUPAC name is (1S)-5-ethyl-3-[(E,6Z)-6-ethylidene-9-methyldec-3-en-2-yl]-4-methoxy-N,6-dimethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(1S)-5-ethyl-3-[(E,6Z)-6-ethylidene-9-methyldec-3-en-2-yl]-4-methoxy-N,6-dimethylcyclohexa-2,4-dien-1-amine
PubChem CID174023376
Molecular FormulaC24H41NO
Molecular Weight359.60 g/mol
Exact Mass359.32
IUPAC Name(1S)-5-ethyl-3-[(E,6Z)-6-ethylidene-9-methyldec-3-en-2-yl]-4-methoxy-N,6-dimethylcyclohexa-2,4-dien-1-amine
SMILESC/C=C(\C/C=C/C(C)C1=C[C@H](NC)C(C)C(CC)=C1OC)CCC(C)C
InChIInChI=1S/C24H41NO/c1-9-20(15-14-17(3)4)13-11-12-18(5)22-16-23(25-7)19(6)21(10-2)24(22)26-8/h9,11-12,16-19,23,25H,10,13-15H2,1-8H3/b12-11+,20-9+/t18?,19?,23-/m0/s1
InChIKeyITROWFGXCLYKEP-GYTOGZFVSA-N
XLogP6.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.60
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S)-5-ethyl-3-[(E,6Z)-6-ethylidene-9-methyldec-3-en-2-yl]-4-methoxy-N,6-dimethylcyclohexa-2,4-dien-1-amine with MolForge

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Launch Full Analysis

Related Compounds

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CID 59686728
2-Methoxy-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-triene
CID 70374316
2-Methoxy-10-prop-2-enyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-triene
CID 70374354
1-N-[(E,4R)-2-ethenyl-4-propoxyhex-2-enyl]-2-ethylhexane-1,5-diamine
CID 89038965
(1S)-1-[(4R)-4-[(1E,2R)-1-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-3-methylidenefuran-2-ylidene]propan-2-yl]-5-[(4Z)-3-propan-2-ylhepta-4,6-dien-2-yl]cyclohexa-1,5-dien-1-yl]-N-prop-2-enylpropan-1-amine
CID 89392087
1-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-2,4-dien-1-yl)-N-methylpropan-2-amine
CID 118245174
6-Methoxy-7-propan-2-yl-1,2,8,8a-tetrahydroquinoline
CID 122544062
3-N-ethyl-7-methoxy-1-N-(5-methoxy-3-methylidenehex-4-enyl)-5-methyl-4-propan-2-ylocta-5,7-diene-1,3-diamine
CID 123267406
2-[(1S)-4-methoxycyclohexa-2,4-dien-1-yl]pyrrolidine
CID 141176617
1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 142147408
ethane;6-ethyl-3-methoxy-1-propylcyclohexa-1,3-diene;methylphosphane;N,3,6-tripropylnonan-1-amine
CID 142248605

Frequently Asked Questions

What is the IUPAC name of (1S)-5-ethyl-3-[(E,6Z)-6-ethylidene-9-methyldec-3-en-2-yl]-4-methoxy-N,6-dimethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of (1S)-5-ethyl-3-[(E,6Z)-6-ethylidene-9-methyldec-3-en-2-yl]-4-methoxy-N,6-dimethylcyclohexa-2,4-dien-1-amine (CID 174023376) is (1S)-5-ethyl-3-[(E,6Z)-6-ethylidene-9-methyldec-3-en-2-yl]-4-methoxy-N,6-dimethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for (1S)-5-ethyl-3-[(E,6Z)-6-ethylidene-9-methyldec-3-en-2-yl]-4-methoxy-N,6-dimethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for (1S)-5-ethyl-3-[(E,6Z)-6-ethylidene-9-methyldec-3-en-2-yl]-4-methoxy-N,6-dimethylcyclohexa-2,4-dien-1-amine is C/C=C(\C/C=C/C(C)C1=C[C@H](NC)C(C)C(CC)=C1OC)CCC(C)C.
What is the InChIKey of (1S)-5-ethyl-3-[(E,6Z)-6-ethylidene-9-methyldec-3-en-2-yl]-4-methoxy-N,6-dimethylcyclohexa-2,4-dien-1-amine?
The InChIKey is ITROWFGXCLYKEP-GYTOGZFVSA-N. The full InChI is InChI=1S/C24H41NO/c1-9-20(15-14-17(3)4)13-11-12-18(5)22-16-23(25-7)19(6)21(10-2)24(22)26-8/h9,11-12,16-19,23,25H,10,13-15H2,1-8H3/b12-11+,20-9+/t18?,19?,23-/m0/s1.
What are the key properties of (1S)-5-ethyl-3-[(E,6Z)-6-ethylidene-9-methyldec-3-en-2-yl]-4-methoxy-N,6-dimethylcyclohexa-2,4-dien-1-amine?
(1S)-5-ethyl-3-[(E,6Z)-6-ethylidene-9-methyldec-3-en-2-yl]-4-methoxy-N,6-dimethylcyclohexa-2,4-dien-1-amine has a molecular weight of 359.60 g/mol, XLogP of 6.43, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-ethyl-3-[(E,6Z)-6-ethylidene-9-methyldec-3-en-2-yl]-4-methoxy-N,6-dimethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 174023376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).