(Z)-4-ethyl-N-methyl-5-methylideneoct-6-en-3-amine

C12H23N — CID 170144451

IUPAC(Z)-4-ethyl-N-methyl-5-methylideneoct-6-en-3-amine
SMILESC=C(/C=C\C)C(CC)C(CC)NC
InChIInChI=1S/C12H23N/c1-6-9-10(4)11(7-2)12(8-3)13-5/h6,9,11-13H,4,7-8H2,1-3,5H3/b9-6-
InChIKeyYFUXLKFGBJGAAY-TWGQIWQCSA-N
MW181.32 g/mol
LogP3.14
Rot. Bonds6

About (Z)-4-ethyl-N-methyl-5-methylideneoct-6-en-3-amine

(Z)-4-ethyl-N-methyl-5-methylideneoct-6-en-3-amine (PubChem CID 170144451) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (Z)-4-ethyl-N-methyl-5-methylideneoct-6-en-3-amine.

Molecular Properties

Compound Name(Z)-4-ethyl-N-methyl-5-methylideneoct-6-en-3-amine
PubChem CID170144451
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(Z)-4-ethyl-N-methyl-5-methylideneoct-6-en-3-amine
SMILESC=C(/C=C\C)C(CC)C(CC)NC
InChIInChI=1S/C12H23N/c1-6-9-10(4)11(7-2)12(8-3)13-5/h6,9,11-13H,4,7-8H2,1-3,5H3/b9-6-
InChIKeyYFUXLKFGBJGAAY-TWGQIWQCSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-5-methyl-4-methylidenehept-2-ene
CID 142042502
(E)-5-methyl-3-(methylamino)oct-6-en-4-ol
CID 59728821
(E)-3-N-methylhept-5-ene-3,4-diamine
CID 163690513
N-ethyl-3-methylidenehex-4-en-2-amine
CID 123937669
4-methylidene-5-propyloct-2-ene
CID 90714762
(Z)-3-ethyl-2-methyl-5-methylideneoct-6-en-4-amine
CID 170143901
(Z)-5-(methylamino)hept-2-en-4-one
CID 123783043
(Z)-N-methylhex-4-en-3-amine
CID 143219516
N,4-dimethyl-2-[1-(methylamino)propyl]pent-4-enamide
CID 138715999
4-ethyl-N-methylhexan-3-amine
CID 79307570
ethane;4-(methylamino)hexan-3-ol
CID 142067249
(3E)-N-propan-2-ylpenta-1,3-dien-2-amine
CID 126549325

Frequently Asked Questions

What is the IUPAC name of (Z)-4-ethyl-N-methyl-5-methylideneoct-6-en-3-amine?
The IUPAC name of (Z)-4-ethyl-N-methyl-5-methylideneoct-6-en-3-amine (CID 170144451) is (Z)-4-ethyl-N-methyl-5-methylideneoct-6-en-3-amine.
What is the SMILES notation for (Z)-4-ethyl-N-methyl-5-methylideneoct-6-en-3-amine?
The canonical SMILES for (Z)-4-ethyl-N-methyl-5-methylideneoct-6-en-3-amine is C=C(/C=C\C)C(CC)C(CC)NC.
What is the InChIKey of (Z)-4-ethyl-N-methyl-5-methylideneoct-6-en-3-amine?
The InChIKey is YFUXLKFGBJGAAY-TWGQIWQCSA-N. The full InChI is InChI=1S/C12H23N/c1-6-9-10(4)11(7-2)12(8-3)13-5/h6,9,11-13H,4,7-8H2,1-3,5H3/b9-6-.
What are the key properties of (Z)-4-ethyl-N-methyl-5-methylideneoct-6-en-3-amine?
(Z)-4-ethyl-N-methyl-5-methylideneoct-6-en-3-amine has a molecular weight of 181.32 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethyl-N-methyl-5-methylideneoct-6-en-3-amine is sourced from PubChem (CID 170144451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).