6-ethyl-3-methyl-5-methylideneoctan-4-amine

C12H25N — CID 142201101

IUPAC6-ethyl-3-methyl-5-methylideneoctan-4-amine
SMILESC=C(C(CC)CC)C(N)C(C)CC
InChIInChI=1S/C12H25N/c1-6-9(4)12(13)10(5)11(7-2)8-3/h9,11-12H,5-8,13H2,1-4H3
InChIKeyIVLDIIASPBPFMB-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.35
Rot. Bonds6

About 6-ethyl-3-methyl-5-methylideneoctan-4-amine

6-ethyl-3-methyl-5-methylideneoctan-4-amine (PubChem CID 142201101) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 6-ethyl-3-methyl-5-methylideneoctan-4-amine.

Molecular Properties

Compound Name6-ethyl-3-methyl-5-methylideneoctan-4-amine
PubChem CID142201101
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name6-ethyl-3-methyl-5-methylideneoctan-4-amine
SMILESC=C(C(CC)CC)C(N)C(C)CC
InChIInChI=1S/C12H25N/c1-6-9(4)12(13)10(5)11(7-2)8-3/h9,11-12H,5-8,13H2,1-4H3
InChIKeyIVLDIIASPBPFMB-UHFFFAOYSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-5-methylideneoctan-4-amine?
The IUPAC name of 6-ethyl-3-methyl-5-methylideneoctan-4-amine (CID 142201101) is 6-ethyl-3-methyl-5-methylideneoctan-4-amine.
What is the SMILES notation for 6-ethyl-3-methyl-5-methylideneoctan-4-amine?
The canonical SMILES for 6-ethyl-3-methyl-5-methylideneoctan-4-amine is C=C(C(CC)CC)C(N)C(C)CC.
What is the InChIKey of 6-ethyl-3-methyl-5-methylideneoctan-4-amine?
The InChIKey is IVLDIIASPBPFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-6-9(4)12(13)10(5)11(7-2)8-3/h9,11-12H,5-8,13H2,1-4H3.
What are the key properties of 6-ethyl-3-methyl-5-methylideneoctan-4-amine?
6-ethyl-3-methyl-5-methylideneoctan-4-amine has a molecular weight of 183.34 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-5-methylideneoctan-4-amine is sourced from PubChem (CID 142201101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).