N-methyl-1-methyliminohex-2-en-3-amine

C8H16N2 — CID 173471906

IUPACN-methyl-1-methyliminohex-2-en-3-amine
SMILESCCCC(=C/C=N/C)NC
InChIInChI=1S/C8H16N2/c1-4-5-8(10-3)6-7-9-2/h6-7,10H,4-5H2,1-3H3/b8-6?,9-7+
InChIKeyNJIYDRVOWXDEKL-WIXHIXFDSA-N
MW140.23 g/mol
LogP1.59
Rot. Bonds4

About N-methyl-1-methyliminohex-2-en-3-amine

N-methyl-1-methyliminohex-2-en-3-amine (PubChem CID 173471906) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-methyl-1-methyliminohex-2-en-3-amine.

Molecular Properties

Compound NameN-methyl-1-methyliminohex-2-en-3-amine
PubChem CID173471906
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-methyl-1-methyliminohex-2-en-3-amine
SMILESCCCC(=C/C=N/C)NC
InChIInChI=1S/C8H16N2/c1-4-5-8(10-3)6-7-9-2/h6-7,10H,4-5H2,1-3H3/b8-6?,9-7+
InChIKeyNJIYDRVOWXDEKL-WIXHIXFDSA-N
XLogP1.59
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.59
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 N-methyl-1-methyliminohex-2-en-3-amine?
The IUPAC name of N-methyl-1-methyliminohex-2-en-3-amine (CID 173471906) is N-methyl-1-methyliminohex-2-en-3-amine.
What is the SMILES notation for N-methyl-1-methyliminohex-2-en-3-amine?
The canonical SMILES for N-methyl-1-methyliminohex-2-en-3-amine is CCCC(=C/C=N/C)NC.
What is the InChIKey of N-methyl-1-methyliminohex-2-en-3-amine?
The InChIKey is NJIYDRVOWXDEKL-WIXHIXFDSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-5-8(10-3)6-7-9-2/h6-7,10H,4-5H2,1-3H3/b8-6?,9-7+.
What are the key properties of N-methyl-1-methyliminohex-2-en-3-amine?
N-methyl-1-methyliminohex-2-en-3-amine has a molecular weight of 140.23 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-methyliminohex-2-en-3-amine is sourced from PubChem (CID 173471906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).