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

C7H14N2 — CID 129168717

IUPACN-[(Z)-(3-methyl-2-methylidenebutylidene)amino]methanamine
SMILESC=C(/C=N\NC)C(C)C
InChIInChI=1S/C7H14N2/c1-6(2)7(3)5-9-8-4/h5-6,8H,3H2,1-2,4H3/b9-5-
InChIKeyIQHZKYFPKJXIMB-UITAMQMPSA-N
MW126.20 g/mol
LogP1.40
Rot. Bonds3

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

N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]methanamine (PubChem CID 129168717) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]methanamine.

Molecular Properties

Compound NameN-[(Z)-(3-methyl-2-methylidenebutylidene)amino]methanamine
PubChem CID129168717
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN-[(Z)-(3-methyl-2-methylidenebutylidene)amino]methanamine
SMILESC=C(/C=N\NC)C(C)C
InChIInChI=1S/C7H14N2/c1-6(2)7(3)5-9-8-4/h5-6,8H,3H2,1-2,4H3/b9-5-
InChIKeyIQHZKYFPKJXIMB-UITAMQMPSA-N
XLogP1.40
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.40
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]methanamine?
The IUPAC name of N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]methanamine (CID 129168717) is N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]methanamine.
What is the SMILES notation for N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]methanamine?
The canonical SMILES for N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]methanamine is C=C(/C=N\NC)C(C)C.
What is the InChIKey of N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]methanamine?
The InChIKey is IQHZKYFPKJXIMB-UITAMQMPSA-N. The full InChI is InChI=1S/C7H14N2/c1-6(2)7(3)5-9-8-4/h5-6,8H,3H2,1-2,4H3/b9-5-.
What are the key properties of N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]methanamine?
N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]methanamine has a molecular weight of 126.20 g/mol, XLogP of 1.40, 3 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]methanamine is sourced from PubChem (CID 129168717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).