(Z)-N,3,3-trimethyl-2-(methylideneamino)but-1-en-1-amine

C8H16N2 — CID 129287665

IUPAC(Z)-N,3,3-trimethyl-2-(methylideneamino)but-1-en-1-amine
SMILESC=N/C(=C\NC)C(C)(C)C
InChIInChI=1S/C8H16N2/c1-8(2,3)7(10-5)6-9-4/h6,9H,5H2,1-4H3/b7-6-
InChIKeyYZYODHBYXBKIKX-SREVYHEPSA-N
MW140.23 g/mol
LogP1.79
Rot. Bonds2

About (Z)-N,3,3-trimethyl-2-(methylideneamino)but-1-en-1-amine

(Z)-N,3,3-trimethyl-2-(methylideneamino)but-1-en-1-amine (PubChem CID 129287665) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (Z)-N,3,3-trimethyl-2-(methylideneamino)but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N,3,3-trimethyl-2-(methylideneamino)but-1-en-1-amine
PubChem CID129287665
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(Z)-N,3,3-trimethyl-2-(methylideneamino)but-1-en-1-amine
SMILESC=N/C(=C\NC)C(C)(C)C
InChIInChI=1S/C8H16N2/c1-8(2,3)7(10-5)6-9-4/h6,9H,5H2,1-4H3/b7-6-
InChIKeyYZYODHBYXBKIKX-SREVYHEPSA-N
XLogP1.79
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,3,3-trimethyl-2-(methylideneamino)but-1-en-1-amine?
The IUPAC name of (Z)-N,3,3-trimethyl-2-(methylideneamino)but-1-en-1-amine (CID 129287665) is (Z)-N,3,3-trimethyl-2-(methylideneamino)but-1-en-1-amine.
What is the SMILES notation for (Z)-N,3,3-trimethyl-2-(methylideneamino)but-1-en-1-amine?
The canonical SMILES for (Z)-N,3,3-trimethyl-2-(methylideneamino)but-1-en-1-amine is C=N/C(=C\NC)C(C)(C)C.
What is the InChIKey of (Z)-N,3,3-trimethyl-2-(methylideneamino)but-1-en-1-amine?
The InChIKey is YZYODHBYXBKIKX-SREVYHEPSA-N. The full InChI is InChI=1S/C8H16N2/c1-8(2,3)7(10-5)6-9-4/h6,9H,5H2,1-4H3/b7-6-.
What are the key properties of (Z)-N,3,3-trimethyl-2-(methylideneamino)but-1-en-1-amine?
(Z)-N,3,3-trimethyl-2-(methylideneamino)but-1-en-1-amine has a molecular weight of 140.23 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,3,3-trimethyl-2-(methylideneamino)but-1-en-1-amine is sourced from PubChem (CID 129287665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).