4-methyl-1-[1-(methylideneamino)ethenyl]piperidin-4-amine

C9H17N3 — CID 123366027

IUPAC4-methyl-1-[1-(methylideneamino)ethenyl]piperidin-4-amine
SMILESC=NC(=C)N1CCC(C)(N)CC1
InChIInChI=1S/C9H17N3/c1-8(11-3)12-6-4-9(2,10)5-7-12/h1,3-7,10H2,2H3
InChIKeyDFFUIQKKAJFVBP-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.97
Rot. Bonds2

About 4-methyl-1-[1-(methylideneamino)ethenyl]piperidin-4-amine

4-methyl-1-[1-(methylideneamino)ethenyl]piperidin-4-amine (PubChem CID 123366027) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 4-methyl-1-[1-(methylideneamino)ethenyl]piperidin-4-amine.

Molecular Properties

Compound Name4-methyl-1-[1-(methylideneamino)ethenyl]piperidin-4-amine
PubChem CID123366027
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name4-methyl-1-[1-(methylideneamino)ethenyl]piperidin-4-amine
SMILESC=NC(=C)N1CCC(C)(N)CC1
InChIInChI=1S/C9H17N3/c1-8(11-3)12-6-4-9(2,10)5-7-12/h1,3-7,10H2,2H3
InChIKeyDFFUIQKKAJFVBP-UHFFFAOYSA-N
XLogP0.97
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N'-(1-tert-butylpiperidin-4-yl)-1-N'-methylethene-1,1-diamine
CID 118231389
N-methyl-N-[[1-[1-(methylideneamino)ethenyl]piperidin-4-yl]methyl]propan-2-amine
CID 156711934
1-(1-Aminoethenyl)-4-methylpiperidin-4-amine
CID 166876536
4-Ethyl-2-methylidene-1,4-dipropyl-1,3-diazinane
CID 177340747

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[1-(methylideneamino)ethenyl]piperidin-4-amine?
The IUPAC name of 4-methyl-1-[1-(methylideneamino)ethenyl]piperidin-4-amine (CID 123366027) is 4-methyl-1-[1-(methylideneamino)ethenyl]piperidin-4-amine.
What is the SMILES notation for 4-methyl-1-[1-(methylideneamino)ethenyl]piperidin-4-amine?
The canonical SMILES for 4-methyl-1-[1-(methylideneamino)ethenyl]piperidin-4-amine is C=NC(=C)N1CCC(C)(N)CC1.
What is the InChIKey of 4-methyl-1-[1-(methylideneamino)ethenyl]piperidin-4-amine?
The InChIKey is DFFUIQKKAJFVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-8(11-3)12-6-4-9(2,10)5-7-12/h1,3-7,10H2,2H3.
What are the key properties of 4-methyl-1-[1-(methylideneamino)ethenyl]piperidin-4-amine?
4-methyl-1-[1-(methylideneamino)ethenyl]piperidin-4-amine has a molecular weight of 167.26 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[1-(methylideneamino)ethenyl]piperidin-4-amine is sourced from PubChem (CID 123366027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).