N-ethyl-4,5-dimethyl-3-methylideneoct-6-en-1-amine

C13H25N — CID 123282786

IUPACN-ethyl-4,5-dimethyl-3-methylideneoct-6-en-1-amine
SMILESC=C(CCNCC)C(C)C(C)C=CC
InChIInChI=1S/C13H25N/c1-6-8-11(3)13(5)12(4)9-10-14-7-2/h6,8,11,13-14H,4,7,9-10H2,1-3,5H3
InChIKeyMWHSVVVAYFLIOB-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.39
Rot. Bonds7

About N-ethyl-4,5-dimethyl-3-methylideneoct-6-en-1-amine

N-ethyl-4,5-dimethyl-3-methylideneoct-6-en-1-amine (PubChem CID 123282786) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-ethyl-4,5-dimethyl-3-methylideneoct-6-en-1-amine.

Molecular Properties

Compound NameN-ethyl-4,5-dimethyl-3-methylideneoct-6-en-1-amine
PubChem CID123282786
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-ethyl-4,5-dimethyl-3-methylideneoct-6-en-1-amine
SMILESC=C(CCNCC)C(C)C(C)C=CC
InChIInChI=1S/C13H25N/c1-6-8-11(3)13(5)12(4)9-10-14-7-2/h6,8,11,13-14H,4,7,9-10H2,1-3,5H3
InChIKeyMWHSVVVAYFLIOB-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,5-dimethyl-3-methylideneoct-6-en-1-amine?
The IUPAC name of N-ethyl-4,5-dimethyl-3-methylideneoct-6-en-1-amine (CID 123282786) is N-ethyl-4,5-dimethyl-3-methylideneoct-6-en-1-amine.
What is the SMILES notation for N-ethyl-4,5-dimethyl-3-methylideneoct-6-en-1-amine?
The canonical SMILES for N-ethyl-4,5-dimethyl-3-methylideneoct-6-en-1-amine is C=C(CCNCC)C(C)C(C)C=CC.
What is the InChIKey of N-ethyl-4,5-dimethyl-3-methylideneoct-6-en-1-amine?
The InChIKey is MWHSVVVAYFLIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-6-8-11(3)13(5)12(4)9-10-14-7-2/h6,8,11,13-14H,4,7,9-10H2,1-3,5H3.
What are the key properties of N-ethyl-4,5-dimethyl-3-methylideneoct-6-en-1-amine?
N-ethyl-4,5-dimethyl-3-methylideneoct-6-en-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,5-dimethyl-3-methylideneoct-6-en-1-amine is sourced from PubChem (CID 123282786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).