(E)-N,2-dimethyl-3-(methyliminomethyl)pent-3-en-1-amine

C9H18N2 — CID 129144965

IUPAC(E)-N,2-dimethyl-3-(methyliminomethyl)pent-3-en-1-amine
SMILESC/C=C(/C=N/C)C(C)CNC
InChIInChI=1S/C9H18N2/c1-5-9(7-11-4)8(2)6-10-3/h5,7-8,10H,6H2,1-4H3/b9-5-,11-7+
InChIKeyIWPDVWVITKLVDP-KGAZIEBHSA-N
MW154.26 g/mol
LogP1.49
Rot. Bonds4

About (E)-N,2-dimethyl-3-(methyliminomethyl)pent-3-en-1-amine

(E)-N,2-dimethyl-3-(methyliminomethyl)pent-3-en-1-amine (PubChem CID 129144965) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (E)-N,2-dimethyl-3-(methyliminomethyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N,2-dimethyl-3-(methyliminomethyl)pent-3-en-1-amine
PubChem CID129144965
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(E)-N,2-dimethyl-3-(methyliminomethyl)pent-3-en-1-amine
SMILESC/C=C(/C=N/C)C(C)CNC
InChIInChI=1S/C9H18N2/c1-5-9(7-11-4)8(2)6-10-3/h5,7-8,10H,6H2,1-4H3/b9-5-,11-7+
InChIKeyIWPDVWVITKLVDP-KGAZIEBHSA-N
XLogP1.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.49
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 (E)-N,2-dimethyl-3-(methyliminomethyl)pent-3-en-1-amine?
The IUPAC name of (E)-N,2-dimethyl-3-(methyliminomethyl)pent-3-en-1-amine (CID 129144965) is (E)-N,2-dimethyl-3-(methyliminomethyl)pent-3-en-1-amine.
What is the SMILES notation for (E)-N,2-dimethyl-3-(methyliminomethyl)pent-3-en-1-amine?
The canonical SMILES for (E)-N,2-dimethyl-3-(methyliminomethyl)pent-3-en-1-amine is C/C=C(/C=N/C)C(C)CNC.
What is the InChIKey of (E)-N,2-dimethyl-3-(methyliminomethyl)pent-3-en-1-amine?
The InChIKey is IWPDVWVITKLVDP-KGAZIEBHSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-9(7-11-4)8(2)6-10-3/h5,7-8,10H,6H2,1-4H3/b9-5-,11-7+.
What are the key properties of (E)-N,2-dimethyl-3-(methyliminomethyl)pent-3-en-1-amine?
(E)-N,2-dimethyl-3-(methyliminomethyl)pent-3-en-1-amine has a molecular weight of 154.26 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,2-dimethyl-3-(methyliminomethyl)pent-3-en-1-amine is sourced from PubChem (CID 129144965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).