N-methyl-N-[(1-methylpiperidin-4-ylidene)amino]methanamine

C8H17N3 — CID 14906419

IUPACN-methyl-N-[(1-methylpiperidin-4-ylidene)amino]methanamine
SMILESCN1CCC(=NN(C)C)CC1
InChIInChI=1S/C8H17N3/c1-10(2)9-8-4-6-11(3)7-5-8/h4-7H2,1-3H3
InChIKeyDGVACJGOKLNZFF-UHFFFAOYSA-N
MW155.25 g/mol
LogP0.63
Rot. Bonds1

About N-methyl-N-[(1-methylpiperidin-4-ylidene)amino]methanamine

N-methyl-N-[(1-methylpiperidin-4-ylidene)amino]methanamine (PubChem CID 14906419) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpiperidin-4-ylidene)amino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpiperidin-4-ylidene)amino]methanamine
PubChem CID14906419
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC NameN-methyl-N-[(1-methylpiperidin-4-ylidene)amino]methanamine
SMILESCN1CCC(=NN(C)C)CC1
InChIInChI=1S/C8H17N3/c1-10(2)9-8-4-6-11(3)7-5-8/h4-7H2,1-3H3
InChIKeyDGVACJGOKLNZFF-UHFFFAOYSA-N
XLogP0.63
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpiperidin-4-ylidene)amino]methanamine?
The IUPAC name of N-methyl-N-[(1-methylpiperidin-4-ylidene)amino]methanamine (CID 14906419) is N-methyl-N-[(1-methylpiperidin-4-ylidene)amino]methanamine.
What is the SMILES notation for N-methyl-N-[(1-methylpiperidin-4-ylidene)amino]methanamine?
The canonical SMILES for N-methyl-N-[(1-methylpiperidin-4-ylidene)amino]methanamine is CN1CCC(=NN(C)C)CC1.
What is the InChIKey of N-methyl-N-[(1-methylpiperidin-4-ylidene)amino]methanamine?
The InChIKey is DGVACJGOKLNZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-10(2)9-8-4-6-11(3)7-5-8/h4-7H2,1-3H3.
What are the key properties of N-methyl-N-[(1-methylpiperidin-4-ylidene)amino]methanamine?
N-methyl-N-[(1-methylpiperidin-4-ylidene)amino]methanamine has a molecular weight of 155.25 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpiperidin-4-ylidene)amino]methanamine is sourced from PubChem (CID 14906419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).