cumene;methane;1-methylpiperidine

C16H29N — CID 177007302

IUPACcumene;methane;1-methylpiperidine
SMILESC.CC(C)c1ccccc1.CN1CCCCC1
InChIInChI=1S/C9H12.C6H13N.CH4/c1-8(2)9-6-4-3-5-7-9;1-7-5-3-2-4-6-7;/h3-8H,1-2H3;2-6H2,1H3;1H4
InChIKeyRXBISVZXMSEAMS-UHFFFAOYSA-N
MW235.42 g/mol
LogP4.55
Rot. Bonds1

About cumene;methane;1-methylpiperidine

cumene;methane;1-methylpiperidine (PubChem CID 177007302) has the molecular formula C16H29N and a molecular weight of 235.42 g/mol. Its IUPAC name is cumene;methane;1-methylpiperidine.

Molecular Properties

Compound Namecumene;methane;1-methylpiperidine
PubChem CID177007302
Molecular FormulaC16H29N
Molecular Weight235.42 g/mol
Exact Mass235.23
IUPAC Namecumene;methane;1-methylpiperidine
SMILESC.CC(C)c1ccccc1.CN1CCCCC1
InChIInChI=1S/C9H12.C6H13N.CH4/c1-8(2)9-6-4-3-5-7-9;1-7-5-3-2-4-6-7;/h3-8H,1-2H3;2-6H2,1H3;1H4
InChIKeyRXBISVZXMSEAMS-UHFFFAOYSA-N
XLogP4.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.42
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze cumene;methane;1-methylpiperidine 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

benzene;cumene
CID 157215889
cumene
CID 161227923
benzene;1-methylpiperidine
CID 143889080
propan-2-ylcyclodecapentaene
CID 123508933
1,4-diphenylbenzene;1-methylpiperidine
CID 175507613
cumene;methane;molecular iodine
CID 161218326
cumene;2-methylpropane
CID 90828344
cumene;hydrogen peroxide
CID 21225480
cumene;zinc
CID 159490121
bis(cyclopentane);methane;tris(2-methylpropane);1-methylpyrrolidine
CID 164988773
cumene;ethane
CID 54306132
CID 159310434
CID 159310434

Frequently Asked Questions

What is the IUPAC name of cumene;methane;1-methylpiperidine?
The IUPAC name of cumene;methane;1-methylpiperidine (CID 177007302) is cumene;methane;1-methylpiperidine.
What is the SMILES notation for cumene;methane;1-methylpiperidine?
The canonical SMILES for cumene;methane;1-methylpiperidine is C.CC(C)c1ccccc1.CN1CCCCC1.
What is the InChIKey of cumene;methane;1-methylpiperidine?
The InChIKey is RXBISVZXMSEAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C6H13N.CH4/c1-8(2)9-6-4-3-5-7-9;1-7-5-3-2-4-6-7;/h3-8H,1-2H3;2-6H2,1H3;1H4.
What are the key properties of cumene;methane;1-methylpiperidine?
cumene;methane;1-methylpiperidine has a molecular weight of 235.42 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;methane;1-methylpiperidine is sourced from PubChem (CID 177007302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).