1-methyl-N-[2-[(4-methylcyclohex-2-en-1-ylidene)amino]ethyl]piperidin-4-amine

C15H27N3 — CID 123479366

IUPAC1-methyl-N-[2-[(4-methylcyclohex-2-en-1-ylidene)amino]ethyl]piperidin-4-amine
SMILESCC1C=C/C(=N/CCNC2CCN(C)CC2)CC1
InChIInChI=1S/C15H27N3/c1-13-3-5-14(6-4-13)16-9-10-17-15-7-11-18(2)12-8-15/h3,5,13,15,17H,4,6-12H2,1-2H3/b16-14-
InChIKeyJOUQDPMQJJRSDP-PEZBUJJGSA-N
MW249.40 g/mol
LogP2.10
Rot. Bonds4

About 1-methyl-N-[2-[(4-methylcyclohex-2-en-1-ylidene)amino]ethyl]piperidin-4-amine

1-methyl-N-[2-[(4-methylcyclohex-2-en-1-ylidene)amino]ethyl]piperidin-4-amine (PubChem CID 123479366) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-methyl-N-[2-[(4-methylcyclohex-2-en-1-ylidene)amino]ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[2-[(4-methylcyclohex-2-en-1-ylidene)amino]ethyl]piperidin-4-amine
PubChem CID123479366
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-methyl-N-[2-[(4-methylcyclohex-2-en-1-ylidene)amino]ethyl]piperidin-4-amine
SMILESCC1C=C/C(=N/CCNC2CCN(C)CC2)CC1
InChIInChI=1S/C15H27N3/c1-13-3-5-14(6-4-13)16-9-10-17-15-7-11-18(2)12-8-15/h3,5,13,15,17H,4,6-12H2,1-2H3/b16-14-
InChIKeyJOUQDPMQJJRSDP-PEZBUJJGSA-N
XLogP2.10
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methyl-N-[2-[(4-methylcyclohex-2-en-1-ylidene)amino]ethyl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4E)-5-fluoro-N-(3-methylpiperidin-4-yl)hexa-1,4-dien-3-imine
CID 123991439
6-Piperidin-4-yl-2,5-dihydropyridine
CID 57184087
2-Cyclopentyl-6-piperidin-3-yl-2,3-dihydropyridine
CID 66612629
2,3,4,4a,8,9,9a,9b-octahydro-1H-pyrido[4,3-b]indole
CID 68572676
(3S)-3,5-dimethyl-1-[(1R)-1-(5-methylcyclohex-3-en-1-yl)ethyl]piperazine
CID 70355896
3-methyl-2-[(1Z)-penta-1,3,4-trienyl]-3a,4,5,6,7,7a-hexahydro-3H-pyrrolo[2,3-c]pyridine
CID 90746808
2-methyl-3-(piperazin-1-ylmethyl)-3a,7a-dihydro-3H-indole
CID 90849792
6-Methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
CID 91582344
5-Methyl-4-[(4-methylpiperazin-1-yl)methyl]cyclohex-2-en-1-imine
CID 123282533
1-[1-(2,3-Dihydropyridin-2-yl)-2-methylpropyl]piperazine
CID 123742591
N-ethyl-N'-[(4-iminocyclohex-2-en-1-yl)methyl]ethane-1,2-diamine
CID 123781711
8-Piperazin-1-yl-2,3,5,6,7,8-hexahydroquinoline
CID 123972302

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[(4-methylcyclohex-2-en-1-ylidene)amino]ethyl]piperidin-4-amine?
The IUPAC name of 1-methyl-N-[2-[(4-methylcyclohex-2-en-1-ylidene)amino]ethyl]piperidin-4-amine (CID 123479366) is 1-methyl-N-[2-[(4-methylcyclohex-2-en-1-ylidene)amino]ethyl]piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-[2-[(4-methylcyclohex-2-en-1-ylidene)amino]ethyl]piperidin-4-amine?
The canonical SMILES for 1-methyl-N-[2-[(4-methylcyclohex-2-en-1-ylidene)amino]ethyl]piperidin-4-amine is CC1C=C/C(=N/CCNC2CCN(C)CC2)CC1.
What is the InChIKey of 1-methyl-N-[2-[(4-methylcyclohex-2-en-1-ylidene)amino]ethyl]piperidin-4-amine?
The InChIKey is JOUQDPMQJJRSDP-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H27N3/c1-13-3-5-14(6-4-13)16-9-10-17-15-7-11-18(2)12-8-15/h3,5,13,15,17H,4,6-12H2,1-2H3/b16-14-.
What are the key properties of 1-methyl-N-[2-[(4-methylcyclohex-2-en-1-ylidene)amino]ethyl]piperidin-4-amine?
1-methyl-N-[2-[(4-methylcyclohex-2-en-1-ylidene)amino]ethyl]piperidin-4-amine has a molecular weight of 249.40 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[(4-methylcyclohex-2-en-1-ylidene)amino]ethyl]piperidin-4-amine is sourced from PubChem (CID 123479366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).