N-ethenyl-N,2-dimethyl-4-methyliminobutan-1-amine

C9H18N2 — CID 123687722

IUPACN-ethenyl-N,2-dimethyl-4-methyliminobutan-1-amine
SMILESC=CN(C)CC(C)C/C=N/C
InChIInChI=1S/C9H18N2/c1-5-11(4)8-9(2)6-7-10-3/h5,7,9H,1,6,8H2,2-4H3/b10-7+
InChIKeyUUFDKOUQCNYHDR-JXMROGBWSA-N
MW154.26 g/mol
LogP1.79
Rot. Bonds5

About N-ethenyl-N,2-dimethyl-4-methyliminobutan-1-amine

N-ethenyl-N,2-dimethyl-4-methyliminobutan-1-amine (PubChem CID 123687722) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-ethenyl-N,2-dimethyl-4-methyliminobutan-1-amine.

Molecular Properties

Compound NameN-ethenyl-N,2-dimethyl-4-methyliminobutan-1-amine
PubChem CID123687722
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-ethenyl-N,2-dimethyl-4-methyliminobutan-1-amine
SMILESC=CN(C)CC(C)C/C=N/C
InChIInChI=1S/C9H18N2/c1-5-11(4)8-9(2)6-7-10-3/h5,7,9H,1,6,8H2,2-4H3/b10-7+
InChIKeyUUFDKOUQCNYHDR-JXMROGBWSA-N
XLogP1.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.79
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-ethenyl-N,2-dimethyl-4-methyliminobutan-1-amine?
The IUPAC name of N-ethenyl-N,2-dimethyl-4-methyliminobutan-1-amine (CID 123687722) is N-ethenyl-N,2-dimethyl-4-methyliminobutan-1-amine.
What is the SMILES notation for N-ethenyl-N,2-dimethyl-4-methyliminobutan-1-amine?
The canonical SMILES for N-ethenyl-N,2-dimethyl-4-methyliminobutan-1-amine is C=CN(C)CC(C)C/C=N/C.
What is the InChIKey of N-ethenyl-N,2-dimethyl-4-methyliminobutan-1-amine?
The InChIKey is UUFDKOUQCNYHDR-JXMROGBWSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-11(4)8-9(2)6-7-10-3/h5,7,9H,1,6,8H2,2-4H3/b10-7+.
What are the key properties of N-ethenyl-N,2-dimethyl-4-methyliminobutan-1-amine?
N-ethenyl-N,2-dimethyl-4-methyliminobutan-1-amine has a molecular weight of 154.26 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N,2-dimethyl-4-methyliminobutan-1-amine is sourced from PubChem (CID 123687722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).