(Z,3E)-3-(2-butan-2-yloxyethylidene)-2-ethyl-7-methyloct-4-en-1-amine

C17H33NO — CID 163805911

IUPAC(Z,3E)-3-(2-butan-2-yloxyethylidene)-2-ethyl-7-methyloct-4-en-1-amine
SMILESCCC(C)OC/C=C(\C=C/CC(C)C)C(CC)CN
InChIInChI=1S/C17H33NO/c1-6-15(5)19-12-11-17(16(7-2)13-18)10-8-9-14(3)4/h8,10-11,14-16H,6-7,9,12-13,18H2,1-5H3/b10-8-,17-11+
InChIKeyNJAGAOFACKRJKL-NERVOECZSA-N
MW267.46 g/mol
LogP4.32
Rot. Bonds10

About (Z,3E)-3-(2-butan-2-yloxyethylidene)-2-ethyl-7-methyloct-4-en-1-amine

(Z,3E)-3-(2-butan-2-yloxyethylidene)-2-ethyl-7-methyloct-4-en-1-amine (PubChem CID 163805911) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is (Z,3E)-3-(2-butan-2-yloxyethylidene)-2-ethyl-7-methyloct-4-en-1-amine.

Molecular Properties

Compound Name(Z,3E)-3-(2-butan-2-yloxyethylidene)-2-ethyl-7-methyloct-4-en-1-amine
PubChem CID163805911
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name(Z,3E)-3-(2-butan-2-yloxyethylidene)-2-ethyl-7-methyloct-4-en-1-amine
SMILESCCC(C)OC/C=C(\C=C/CC(C)C)C(CC)CN
InChIInChI=1S/C17H33NO/c1-6-15(5)19-12-11-17(16(7-2)13-18)10-8-9-14(3)4/h8,10-11,14-16H,6-7,9,12-13,18H2,1-5H3/b10-8-,17-11+
InChIKeyNJAGAOFACKRJKL-NERVOECZSA-N
XLogP4.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z,3E)-3-(2-butan-2-yloxyethylidene)-2-ethyl-7-methyloct-4-en-1-amine with MolForge

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Related Compounds

5-Ethoxy-4-ethylidenehept-2-en-1-amine
CID 90939292
2-(1-Methoxyethenyl)-5,6-dimethyl-3-prop-2-enoxyocta-2,4-dien-1-amine
CID 123724222
(3Z,4Z,6Z)-3-ethylidene-8-methoxynona-4,6-dien-1-amine
CID 141943905
ethane;2-[(3Z,5Z)-4-propylhepta-1,3,5-trien-2-yl]oxypropan-1-amine
CID 142368194
ethane;molecular hydrogen;(2S)-2-(6-propylcyclohepta-1,4,6-trien-1-yl)oxypropan-1-amine
CID 142385821
ethane;molecular hydrogen;(2R)-2-(6-propylcyclohepta-1,4,6-trien-1-yl)oxypropan-1-amine
CID 142389312
ethane;2-[(2E,4Z)-5-ethenylocta-2,4-dien-3-yl]oxyethanamine
CID 142389497
ethane;2-[(3Z,5Z)-4-propylhepta-1,3,5-trien-2-yl]oxyethanamine
CID 142407620
N-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine;prop-1-ene
CID 143792048
(3Z,7Z)-2-ethoxy-10-methyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;methanamine
CID 144896590
(2S,3R)-3-[(Z)-hex-4-en-3-yl]oxy-2-methylbutan-1-amine
CID 163972019
(3E,5Z)-3-ethylidene-7-prop-2-enoxyocta-5,7-dien-1-amine
CID 143134686

Frequently Asked Questions

What is the IUPAC name of (Z,3E)-3-(2-butan-2-yloxyethylidene)-2-ethyl-7-methyloct-4-en-1-amine?
The IUPAC name of (Z,3E)-3-(2-butan-2-yloxyethylidene)-2-ethyl-7-methyloct-4-en-1-amine (CID 163805911) is (Z,3E)-3-(2-butan-2-yloxyethylidene)-2-ethyl-7-methyloct-4-en-1-amine.
What is the SMILES notation for (Z,3E)-3-(2-butan-2-yloxyethylidene)-2-ethyl-7-methyloct-4-en-1-amine?
The canonical SMILES for (Z,3E)-3-(2-butan-2-yloxyethylidene)-2-ethyl-7-methyloct-4-en-1-amine is CCC(C)OC/C=C(\C=C/CC(C)C)C(CC)CN.
What is the InChIKey of (Z,3E)-3-(2-butan-2-yloxyethylidene)-2-ethyl-7-methyloct-4-en-1-amine?
The InChIKey is NJAGAOFACKRJKL-NERVOECZSA-N. The full InChI is InChI=1S/C17H33NO/c1-6-15(5)19-12-11-17(16(7-2)13-18)10-8-9-14(3)4/h8,10-11,14-16H,6-7,9,12-13,18H2,1-5H3/b10-8-,17-11+.
What are the key properties of (Z,3E)-3-(2-butan-2-yloxyethylidene)-2-ethyl-7-methyloct-4-en-1-amine?
(Z,3E)-3-(2-butan-2-yloxyethylidene)-2-ethyl-7-methyloct-4-en-1-amine has a molecular weight of 267.46 g/mol, XLogP of 4.32, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-3-(2-butan-2-yloxyethylidene)-2-ethyl-7-methyloct-4-en-1-amine is sourced from PubChem (CID 163805911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).