(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine

C8H15N3 — CID 154007283

IUPAC(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine
SMILESC/N=C1\CCN(C)CC1=CN
InChIInChI=1S/C8H15N3/c1-10-8-3-4-11(2)6-7(8)5-9/h5H,3-4,6,9H2,1-2H3/b7-5?,10-8+
InChIKeyUXQJEMMMADDPOG-QSKBLMOKSA-N
MW153.23 g/mol
LogP0.24
Rot. Bonds

About (1-methyl-4-methyliminopiperidin-3-ylidene)methanamine

(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine (PubChem CID 154007283) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is (1-methyl-4-methyliminopiperidin-3-ylidene)methanamine.

Molecular Properties

Compound Name(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine
PubChem CID154007283
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine
SMILESC/N=C1\CCN(C)CC1=CN
InChIInChI=1S/C8H15N3/c1-10-8-3-4-11(2)6-7(8)5-9/h5H,3-4,6,9H2,1-2H3/b7-5?,10-8+
InChIKeyUXQJEMMMADDPOG-QSKBLMOKSA-N
XLogP0.24
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.24
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-Methyl-4-(2,2,2-trifluoroethylimino)piperidin-3-ylidene]methanamine
CID 148303689
1-Ethyl-5-methyl-2,4-dihydropyridin-3-imine
CID 57064772
1-methyl-4-[(2-methyl-3H-pyrrol-4-yl)methyl]piperazine
CID 89311359
1-methyl-3-methylidene-N-prop-1-en-2-ylpiperidin-4-imine
CID 134406810
(Z)-(4-methyliminopiperidin-3-ylidene)methanamine
CID 138571622
ethane;(Z)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine
CID 142162029
ethane;(Z)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine
CID 142162053
(3Z)-1-ethyl-3-[(methylideneamino)methylidene]piperidin-4-imine
CID 143866558
(4-Tert-butylimino-1-methylpiperidin-3-ylidene)methanamine
CID 144213705
[(Z)-(4-azaniumylidene-1-methylpiperidin-3-ylidene)methyl]-methylazanium
CID 144213729
Ethane;2-(3-methylidene-4-propyliminopiperidin-1-yl)ethanamine
CID 145198301
(Z)-(3-butan-2-yliminopiperidin-4-ylidene)methanamine
CID 146229741

Frequently Asked Questions

What is the IUPAC name of (1-methyl-4-methyliminopiperidin-3-ylidene)methanamine?
The IUPAC name of (1-methyl-4-methyliminopiperidin-3-ylidene)methanamine (CID 154007283) is (1-methyl-4-methyliminopiperidin-3-ylidene)methanamine.
What is the SMILES notation for (1-methyl-4-methyliminopiperidin-3-ylidene)methanamine?
The canonical SMILES for (1-methyl-4-methyliminopiperidin-3-ylidene)methanamine is C/N=C1\CCN(C)CC1=CN.
What is the InChIKey of (1-methyl-4-methyliminopiperidin-3-ylidene)methanamine?
The InChIKey is UXQJEMMMADDPOG-QSKBLMOKSA-N. The full InChI is InChI=1S/C8H15N3/c1-10-8-3-4-11(2)6-7(8)5-9/h5H,3-4,6,9H2,1-2H3/b7-5?,10-8+.
What are the key properties of (1-methyl-4-methyliminopiperidin-3-ylidene)methanamine?
(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine has a molecular weight of 153.23 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4-methyliminopiperidin-3-ylidene)methanamine is sourced from PubChem (CID 154007283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).