(Z)-3-ethyl-2-methyl-5-methylideneoct-6-en-4-amine

C12H23N — CID 170143901

IUPAC(Z)-3-ethyl-2-methyl-5-methylideneoct-6-en-4-amine
SMILESC=C(/C=C\C)C(N)C(CC)C(C)C
InChIInChI=1S/C12H23N/c1-6-8-10(5)12(13)11(7-2)9(3)4/h6,8-9,11-12H,5,7,13H2,1-4H3/b8-6-
InChIKeyGYBLNPSAPLKCSI-VURMDHGXSA-N
MW181.32 g/mol
LogP3.13
Rot. Bonds5

About (Z)-3-ethyl-2-methyl-5-methylideneoct-6-en-4-amine

(Z)-3-ethyl-2-methyl-5-methylideneoct-6-en-4-amine (PubChem CID 170143901) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (Z)-3-ethyl-2-methyl-5-methylideneoct-6-en-4-amine.

Molecular Properties

Compound Name(Z)-3-ethyl-2-methyl-5-methylideneoct-6-en-4-amine
PubChem CID170143901
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(Z)-3-ethyl-2-methyl-5-methylideneoct-6-en-4-amine
SMILESC=C(/C=C\C)C(N)C(CC)C(C)C
InChIInChI=1S/C12H23N/c1-6-8-10(5)12(13)11(7-2)9(3)4/h6,8-9,11-12H,5,7,13H2,1-4H3/b8-6-
InChIKeyGYBLNPSAPLKCSI-VURMDHGXSA-N
XLogP3.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethyl-2-methyl-5-methylideneoct-6-en-4-amine?
The IUPAC name of (Z)-3-ethyl-2-methyl-5-methylideneoct-6-en-4-amine (CID 170143901) is (Z)-3-ethyl-2-methyl-5-methylideneoct-6-en-4-amine.
What is the SMILES notation for (Z)-3-ethyl-2-methyl-5-methylideneoct-6-en-4-amine?
The canonical SMILES for (Z)-3-ethyl-2-methyl-5-methylideneoct-6-en-4-amine is C=C(/C=C\C)C(N)C(CC)C(C)C.
What is the InChIKey of (Z)-3-ethyl-2-methyl-5-methylideneoct-6-en-4-amine?
The InChIKey is GYBLNPSAPLKCSI-VURMDHGXSA-N. The full InChI is InChI=1S/C12H23N/c1-6-8-10(5)12(13)11(7-2)9(3)4/h6,8-9,11-12H,5,7,13H2,1-4H3/b8-6-.
What are the key properties of (Z)-3-ethyl-2-methyl-5-methylideneoct-6-en-4-amine?
(Z)-3-ethyl-2-methyl-5-methylideneoct-6-en-4-amine has a molecular weight of 181.32 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethyl-2-methyl-5-methylideneoct-6-en-4-amine is sourced from PubChem (CID 170143901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).