1-cyclohexylazetidine;2-methylpropane

C13H27N — CID 178017193

IUPAC1-cyclohexylazetidine;2-methylpropane
SMILESC1CCC(N2CCC2)CC1.CC(C)C
InChIInChI=1S/C9H17N.C4H10/c1-2-5-9(6-3-1)10-7-4-8-10;1-4(2)3/h9H,1-8H2;4H,1-3H3
InChIKeyPMRSKHKCOIGDQN-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.69
Rot. Bonds1

About 1-cyclohexylazetidine;2-methylpropane

1-cyclohexylazetidine;2-methylpropane (PubChem CID 178017193) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-cyclohexylazetidine;2-methylpropane.

Molecular Properties

Compound Name1-cyclohexylazetidine;2-methylpropane
PubChem CID178017193
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-cyclohexylazetidine;2-methylpropane
SMILESC1CCC(N2CCC2)CC1.CC(C)C
InChIInChI=1S/C9H17N.C4H10/c1-2-5-9(6-3-1)10-7-4-8-10;1-4(2)3/h9H,1-8H2;4H,1-3H3
InChIKeyPMRSKHKCOIGDQN-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclohexyldiethylamine
CID 61571
N,N-dibutylcyclohexanamine
CID 10104589
Cyclohexanamine, N-methyl-n-propyl-
CID 541883
1-Cyclohexylazetidine
CID 544760
Cyclohexyl-isopropyl-methylamin
CID 17825273
N-ethyl-N-propylcyclohexanamine
CID 20812157
Cyclohexanamine, N,N-diethyl-, hydrochloride (1:1)
CID 103170
Cyclohexyl(triethyl)azanium
CID 4118964
N-Ethyl-N-methylcyclohexanamine
CID 12446308
N,N-bis(2-methylpropyl)cyclohexanamine
CID 15582182
1-[(1S,2R)-2-fluorocyclohexyl]azetidine
CID 58117067
1-Cyclohexyl-3-fluoroazetidine
CID 58117107

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylazetidine;2-methylpropane?
The IUPAC name of 1-cyclohexylazetidine;2-methylpropane (CID 178017193) is 1-cyclohexylazetidine;2-methylpropane.
What is the SMILES notation for 1-cyclohexylazetidine;2-methylpropane?
The canonical SMILES for 1-cyclohexylazetidine;2-methylpropane is C1CCC(N2CCC2)CC1.CC(C)C.
What is the InChIKey of 1-cyclohexylazetidine;2-methylpropane?
The InChIKey is PMRSKHKCOIGDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C4H10/c1-2-5-9(6-3-1)10-7-4-8-10;1-4(2)3/h9H,1-8H2;4H,1-3H3.
What are the key properties of 1-cyclohexylazetidine;2-methylpropane?
1-cyclohexylazetidine;2-methylpropane has a molecular weight of 197.37 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylazetidine;2-methylpropane is sourced from PubChem (CID 178017193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).