(5Z)-8-[(1Z)-buta-1,3-dienoxy]-5-methylocta-1,5-dien-4-amine

C13H21NO — CID 89154086

IUPAC(5Z)-8-[(1Z)-buta-1,3-dienoxy]-5-methylocta-1,5-dien-4-amine
SMILESC=C/C=C\OCC/C=C(/C)C(N)CC=C
InChIInChI=1S/C13H21NO/c1-4-6-10-15-11-7-9-12(3)13(14)8-5-2/h4-6,9-10,13H,1-2,7-8,11,14H2,3H3/b10-6-,12-9-
InChIKeyWBDALNQCAOQLEC-LQBUGXQISA-N
MW207.32 g/mol
LogP2.94
Rot. Bonds8

About (5Z)-8-[(1Z)-buta-1,3-dienoxy]-5-methylocta-1,5-dien-4-amine

(5Z)-8-[(1Z)-buta-1,3-dienoxy]-5-methylocta-1,5-dien-4-amine (PubChem CID 89154086) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (5Z)-8-[(1Z)-buta-1,3-dienoxy]-5-methylocta-1,5-dien-4-amine.

Molecular Properties

Compound Name(5Z)-8-[(1Z)-buta-1,3-dienoxy]-5-methylocta-1,5-dien-4-amine
PubChem CID89154086
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(5Z)-8-[(1Z)-buta-1,3-dienoxy]-5-methylocta-1,5-dien-4-amine
SMILESC=C/C=C\OCC/C=C(/C)C(N)CC=C
InChIInChI=1S/C13H21NO/c1-4-6-10-15-11-7-9-12(3)13(14)8-5-2/h4-6,9-10,13H,1-2,7-8,11,14H2,3H3/b10-6-,12-9-
InChIKeyWBDALNQCAOQLEC-LQBUGXQISA-N
XLogP2.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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

(5Z)-5-methylhepta-1,5-dien-4-amine
CID 143795621
1-(2-methoxyethoxy)buta-1,3-diene
CID 123812918
methyl 2-aminopent-4-enoate
CID 10877146
(1E)-1-ethoxybuta-1,3-diene
CID 5462978
4-amino-2-methylhepta-1,6-dien-3-one
CID 116606914
ethane;methyl (2S)-2-aminopent-4-enoate
CID 143525314
(2S)-2-aminopent-4-enoic acid;ethane;(3S)-3-methylhex-5-en-2-one
CID 161452637
3-amino-1-methoxyhex-5-en-2-one
CID 116606882
2-aminopent-4-enoic acid;cyclohexane
CID 174929503
(3Z,6S)-6-ethenyl-5-propan-2-ylidenenona-1,3,8-triene
CID 145452305
tert-butyl 2-aminopent-4-enoate;hydrochloride
CID 139035813
3-amino-1-ethoxyhex-5-en-2-one
CID 116606832

Frequently Asked Questions

What is the IUPAC name of (5Z)-8-[(1Z)-buta-1,3-dienoxy]-5-methylocta-1,5-dien-4-amine?
The IUPAC name of (5Z)-8-[(1Z)-buta-1,3-dienoxy]-5-methylocta-1,5-dien-4-amine (CID 89154086) is (5Z)-8-[(1Z)-buta-1,3-dienoxy]-5-methylocta-1,5-dien-4-amine.
What is the SMILES notation for (5Z)-8-[(1Z)-buta-1,3-dienoxy]-5-methylocta-1,5-dien-4-amine?
The canonical SMILES for (5Z)-8-[(1Z)-buta-1,3-dienoxy]-5-methylocta-1,5-dien-4-amine is C=C/C=C\OCC/C=C(/C)C(N)CC=C.
What is the InChIKey of (5Z)-8-[(1Z)-buta-1,3-dienoxy]-5-methylocta-1,5-dien-4-amine?
The InChIKey is WBDALNQCAOQLEC-LQBUGXQISA-N. The full InChI is InChI=1S/C13H21NO/c1-4-6-10-15-11-7-9-12(3)13(14)8-5-2/h4-6,9-10,13H,1-2,7-8,11,14H2,3H3/b10-6-,12-9-.
What are the key properties of (5Z)-8-[(1Z)-buta-1,3-dienoxy]-5-methylocta-1,5-dien-4-amine?
(5Z)-8-[(1Z)-buta-1,3-dienoxy]-5-methylocta-1,5-dien-4-amine has a molecular weight of 207.32 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-8-[(1Z)-buta-1,3-dienoxy]-5-methylocta-1,5-dien-4-amine is sourced from PubChem (CID 89154086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).