N-methyl-N-[2-(methylideneamino)ethenyl]butan-2-amine

C8H16N2 — CID 90791456

IUPACN-methyl-N-[2-(methylideneamino)ethenyl]butan-2-amine
SMILESC=NC=CN(C)C(C)CC
InChIInChI=1S/C8H16N2/c1-5-8(2)10(4)7-6-9-3/h6-8H,3,5H2,1-2,4H3
InChIKeyYIBZALZDRWIWTL-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.89
Rot. Bonds4

About N-methyl-N-[2-(methylideneamino)ethenyl]butan-2-amine

N-methyl-N-[2-(methylideneamino)ethenyl]butan-2-amine (PubChem CID 90791456) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-methyl-N-[2-(methylideneamino)ethenyl]butan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(methylideneamino)ethenyl]butan-2-amine
PubChem CID90791456
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-methyl-N-[2-(methylideneamino)ethenyl]butan-2-amine
SMILESC=NC=CN(C)C(C)CC
InChIInChI=1S/C8H16N2/c1-5-8(2)10(4)7-6-9-3/h6-8H,3,5H2,1-2,4H3
InChIKeyYIBZALZDRWIWTL-UHFFFAOYSA-N
XLogP1.89
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.89
H-Bond Donors ≤ 50
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 N-methyl-N-[2-(methylideneamino)ethenyl]butan-2-amine?
The IUPAC name of N-methyl-N-[2-(methylideneamino)ethenyl]butan-2-amine (CID 90791456) is N-methyl-N-[2-(methylideneamino)ethenyl]butan-2-amine.
What is the SMILES notation for N-methyl-N-[2-(methylideneamino)ethenyl]butan-2-amine?
The canonical SMILES for N-methyl-N-[2-(methylideneamino)ethenyl]butan-2-amine is C=NC=CN(C)C(C)CC.
What is the InChIKey of N-methyl-N-[2-(methylideneamino)ethenyl]butan-2-amine?
The InChIKey is YIBZALZDRWIWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-5-8(2)10(4)7-6-9-3/h6-8H,3,5H2,1-2,4H3.
What are the key properties of N-methyl-N-[2-(methylideneamino)ethenyl]butan-2-amine?
N-methyl-N-[2-(methylideneamino)ethenyl]butan-2-amine has a molecular weight of 140.23 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(methylideneamino)ethenyl]butan-2-amine is sourced from PubChem (CID 90791456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).