1-(4-methyliminopiperidin-3-ylidene)ethanamine

C8H15N3 — CID 149065719

IUPAC1-(4-methyliminopiperidin-3-ylidene)ethanamine
SMILESC/N=C1\CCNCC1=C(C)N
InChIInChI=1S/C8H15N3/c1-6(9)7-5-11-4-3-8(7)10-2/h11H,3-5,9H2,1-2H3/b7-6?,10-8+
InChIKeyKNVVSFJNRSYRDH-NACQSJNXSA-N
MW153.23 g/mol
LogP0.28
Rot. Bonds

About 1-(4-methyliminopiperidin-3-ylidene)ethanamine

1-(4-methyliminopiperidin-3-ylidene)ethanamine (PubChem CID 149065719) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-(4-methyliminopiperidin-3-ylidene)ethanamine.

Molecular Properties

Compound Name1-(4-methyliminopiperidin-3-ylidene)ethanamine
PubChem CID149065719
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1-(4-methyliminopiperidin-3-ylidene)ethanamine
SMILESC/N=C1\CCNCC1=C(C)N
InChIInChI=1S/C8H15N3/c1-6(9)7-5-11-4-3-8(7)10-2/h11H,3-5,9H2,1-2H3/b7-6?,10-8+
InChIKeyKNVVSFJNRSYRDH-NACQSJNXSA-N
XLogP0.28
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-(4-methyliminopiperidin-3-ylidene)ethanamine?
The IUPAC name of 1-(4-methyliminopiperidin-3-ylidene)ethanamine (CID 149065719) is 1-(4-methyliminopiperidin-3-ylidene)ethanamine.
What is the SMILES notation for 1-(4-methyliminopiperidin-3-ylidene)ethanamine?
The canonical SMILES for 1-(4-methyliminopiperidin-3-ylidene)ethanamine is C/N=C1\CCNCC1=C(C)N.
What is the InChIKey of 1-(4-methyliminopiperidin-3-ylidene)ethanamine?
The InChIKey is KNVVSFJNRSYRDH-NACQSJNXSA-N. The full InChI is InChI=1S/C8H15N3/c1-6(9)7-5-11-4-3-8(7)10-2/h11H,3-5,9H2,1-2H3/b7-6?,10-8+.
What are the key properties of 1-(4-methyliminopiperidin-3-ylidene)ethanamine?
1-(4-methyliminopiperidin-3-ylidene)ethanamine has a molecular weight of 153.23 g/mol, XLogP of 0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyliminopiperidin-3-ylidene)ethanamine is sourced from PubChem (CID 149065719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).