(4Z)-N-iodo-N-(2-methoxyethyl)-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hex-5-en-1-amine

C16H22INO — CID 144651711

IUPAC(4Z)-N-iodo-N-(2-methoxyethyl)-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hex-5-en-1-amine
SMILESC=C/C(CCCN(I)CCOC)=c1/ccccc1=C
InChIInChI=1S/C16H22INO/c1-4-15(16-10-6-5-8-14(16)2)9-7-11-18(17)12-13-19-3/h4-6,8,10H,1-2,7,9,11-13H2,3H3/b16-15+
InChIKeyCNEXAXIQZOKAET-FOCLMDBBSA-N
MW371.26 g/mol
LogP2.51
Rot. Bonds8

About (4Z)-N-iodo-N-(2-methoxyethyl)-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hex-5-en-1-amine

(4Z)-N-iodo-N-(2-methoxyethyl)-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hex-5-en-1-amine (PubChem CID 144651711) has the molecular formula C16H22INO and a molecular weight of 371.26 g/mol. Its IUPAC name is (4Z)-N-iodo-N-(2-methoxyethyl)-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hex-5-en-1-amine.

Molecular Properties

Compound Name(4Z)-N-iodo-N-(2-methoxyethyl)-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hex-5-en-1-amine
PubChem CID144651711
Molecular FormulaC16H22INO
Molecular Weight371.26 g/mol
Exact Mass371.07
IUPAC Name(4Z)-N-iodo-N-(2-methoxyethyl)-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hex-5-en-1-amine
SMILESC=C/C(CCCN(I)CCOC)=c1/ccccc1=C
InChIInChI=1S/C16H22INO/c1-4-15(16-10-6-5-8-14(16)2)9-7-11-18(17)12-13-19-3/h4-6,8,10H,1-2,7,9,11-13H2,3H3/b16-15+
InChIKeyCNEXAXIQZOKAET-FOCLMDBBSA-N
XLogP2.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyethyl)-3,4,7,8-tetrahydro-2H-quinoline
CID 68342296
N-(cyclohexa-1,3-dien-1-ylmethyl)-2-methoxyethanamine
CID 89311458
N-ethyl-2-methoxy-N-[[1-(4-methylhepta-1,3-dienyl)cyclopropyl]methyl]ethanamine
CID 123365734
N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine
CID 141830840
ethane;N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine
CID 143259688
ethane;(5Z)-N-(2-methoxyethyl)-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine
CID 143432972
3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 143615599
4-(3-Cyclohexa-1,5-dien-1-ylpropyl)morpholine
CID 143615646
(4E)-4-ethenyl-N,3-diethyl-N-(2-methoxyethyl)hepta-4,6-dien-1-amine
CID 145280023
(4Z)-4-ethenyl-N-ethyl-N-(2-methoxyethyl)hepta-4,6-dien-1-amine
CID 145280064
(3Z,5Z)-5-ethenyl-N-[(4-ethenylcyclohepta-1,3,5-trien-1-yl)methyl]-N-(2-methoxyethyl)octa-3,5,7-trien-1-amine
CID 145346171
ethane;ethene;4-[(Z,4Z)-4-ethylidenehept-5-enyl]morpholine
CID 145472464

Frequently Asked Questions

What is the IUPAC name of (4Z)-N-iodo-N-(2-methoxyethyl)-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hex-5-en-1-amine?
The IUPAC name of (4Z)-N-iodo-N-(2-methoxyethyl)-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hex-5-en-1-amine (CID 144651711) is (4Z)-N-iodo-N-(2-methoxyethyl)-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hex-5-en-1-amine.
What is the SMILES notation for (4Z)-N-iodo-N-(2-methoxyethyl)-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hex-5-en-1-amine?
The canonical SMILES for (4Z)-N-iodo-N-(2-methoxyethyl)-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hex-5-en-1-amine is C=C/C(CCCN(I)CCOC)=c1/ccccc1=C.
What is the InChIKey of (4Z)-N-iodo-N-(2-methoxyethyl)-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hex-5-en-1-amine?
The InChIKey is CNEXAXIQZOKAET-FOCLMDBBSA-N. The full InChI is InChI=1S/C16H22INO/c1-4-15(16-10-6-5-8-14(16)2)9-7-11-18(17)12-13-19-3/h4-6,8,10H,1-2,7,9,11-13H2,3H3/b16-15+.
What are the key properties of (4Z)-N-iodo-N-(2-methoxyethyl)-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hex-5-en-1-amine?
(4Z)-N-iodo-N-(2-methoxyethyl)-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hex-5-en-1-amine has a molecular weight of 371.26 g/mol, XLogP of 2.51, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-iodo-N-(2-methoxyethyl)-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hex-5-en-1-amine is sourced from PubChem (CID 144651711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).