N,N-dimethyl-4-methyliminopent-2-en-2-amine

C8H16N2 — CID 72560398

IUPACN,N-dimethyl-4-methyliminopent-2-en-2-amine
SMILESC/N=C(\C)C=C(C)N(C)C
InChIInChI=1S/C8H16N2/c1-7(9-3)6-8(2)10(4)5/h6H,1-5H3/b8-6?,9-7+
InChIKeyYSHHLOUOXUNKPJ-WIXHIXFDSA-N
MW140.23 g/mol
LogP1.54
Rot. Bonds2

About N,N-dimethyl-4-methyliminopent-2-en-2-amine

N,N-dimethyl-4-methyliminopent-2-en-2-amine (PubChem CID 72560398) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N,N-dimethyl-4-methyliminopent-2-en-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-methyliminopent-2-en-2-amine
PubChem CID72560398
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN,N-dimethyl-4-methyliminopent-2-en-2-amine
SMILESC/N=C(\C)C=C(C)N(C)C
InChIInChI=1S/C8H16N2/c1-7(9-3)6-8(2)10(4)5/h6H,1-5H3/b8-6?,9-7+
InChIKeyYSHHLOUOXUNKPJ-WIXHIXFDSA-N
XLogP1.54
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.54
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,N-dimethyl-4-methyliminopent-2-en-2-amine?
The IUPAC name of N,N-dimethyl-4-methyliminopent-2-en-2-amine (CID 72560398) is N,N-dimethyl-4-methyliminopent-2-en-2-amine.
What is the SMILES notation for N,N-dimethyl-4-methyliminopent-2-en-2-amine?
The canonical SMILES for N,N-dimethyl-4-methyliminopent-2-en-2-amine is C/N=C(\C)C=C(C)N(C)C.
What is the InChIKey of N,N-dimethyl-4-methyliminopent-2-en-2-amine?
The InChIKey is YSHHLOUOXUNKPJ-WIXHIXFDSA-N. The full InChI is InChI=1S/C8H16N2/c1-7(9-3)6-8(2)10(4)5/h6H,1-5H3/b8-6?,9-7+.
What are the key properties of N,N-dimethyl-4-methyliminopent-2-en-2-amine?
N,N-dimethyl-4-methyliminopent-2-en-2-amine has a molecular weight of 140.23 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-methyliminopent-2-en-2-amine is sourced from PubChem (CID 72560398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).