N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]ethanamine

C8H16N2 — CID 170359958

IUPACN-[(Z)-(3-methyl-2-methylidenebutylidene)amino]ethanamine
SMILESC=C(/C=N\NCC)C(C)C
InChIInChI=1S/C8H16N2/c1-5-9-10-6-8(4)7(2)3/h6-7,9H,4-5H2,1-3H3/b10-6-
InChIKeyLSIYLJPVKKQUTK-POHAHGRESA-N
MW140.23 g/mol
LogP1.79
Rot. Bonds4

About N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]ethanamine

N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]ethanamine (PubChem CID 170359958) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]ethanamine.

Molecular Properties

Compound NameN-[(Z)-(3-methyl-2-methylidenebutylidene)amino]ethanamine
PubChem CID170359958
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-[(Z)-(3-methyl-2-methylidenebutylidene)amino]ethanamine
SMILESC=C(/C=N\NCC)C(C)C
InChIInChI=1S/C8H16N2/c1-5-9-10-6-8(4)7(2)3/h6-7,9H,4-5H2,1-3H3/b10-6-
InChIKeyLSIYLJPVKKQUTK-POHAHGRESA-N
XLogP1.79
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]ethanamine?
The IUPAC name of N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]ethanamine (CID 170359958) is N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]ethanamine.
What is the SMILES notation for N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]ethanamine?
The canonical SMILES for N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]ethanamine is C=C(/C=N\NCC)C(C)C.
What is the InChIKey of N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]ethanamine?
The InChIKey is LSIYLJPVKKQUTK-POHAHGRESA-N. The full InChI is InChI=1S/C8H16N2/c1-5-9-10-6-8(4)7(2)3/h6-7,9H,4-5H2,1-3H3/b10-6-.
What are the key properties of N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]ethanamine?
N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]ethanamine has a molecular weight of 140.23 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]ethanamine is sourced from PubChem (CID 170359958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).