cyclohexanamine;N-methylbutan-1-amine

C11H26N2 — CID 22649907

IUPACcyclohexanamine;N-methylbutan-1-amine
SMILESCCCCNC.NC1CCCCC1
InChIInChI=1S/C6H13N.C5H13N/c7-6-4-2-1-3-5-6;1-3-4-5-6-2/h6H,1-5,7H2;6H,3-5H2,1-2H3
InChIKeySKNUWLJKSMWPQK-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.28
Rot. Bonds3

About cyclohexanamine;N-methylbutan-1-amine

cyclohexanamine;N-methylbutan-1-amine (PubChem CID 22649907) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is cyclohexanamine;N-methylbutan-1-amine.

Molecular Properties

Compound Namecyclohexanamine;N-methylbutan-1-amine
PubChem CID22649907
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Namecyclohexanamine;N-methylbutan-1-amine
SMILESCCCCNC.NC1CCCCC1
InChIInChI=1S/C6H13N.C5H13N/c7-6-4-2-1-3-5-6;1-3-4-5-6-2/h6H,1-5,7H2;6H,3-5H2,1-2H3
InChIKeySKNUWLJKSMWPQK-UHFFFAOYSA-N
XLogP2.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclohexanamine;N-ethylbutan-1-amine
CID 22649799
N-methylbutan-1-amine
CID 8068
3-cyclohexyl-N-methylpropan-1-amine
CID 3028091
cyclohexanamine;N-ethylethanamine;N-methylmethanamine;dihydrobromide
CID 160905019
N-methylbutan-1-amine;piperidine
CID 143978162
azane;cyclohexanamine;ethanamine;N-ethylethanamine;N-methylethanamine
CID 157130667
cycloheptanamine;ethanol
CID 158239152
cyclohexanamine;ethanol
CID 159108869
ethane;N-methylbutan-1-amine;propane
CID 142092371
ethane;methylcyclobutane;N-methylpentan-1-amine
CID 166078037
CID 175698442
CID 175698442
butylcyclohexane;N-methylmethanamine
CID 174941558

Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;N-methylbutan-1-amine?
The IUPAC name of cyclohexanamine;N-methylbutan-1-amine (CID 22649907) is cyclohexanamine;N-methylbutan-1-amine.
What is the SMILES notation for cyclohexanamine;N-methylbutan-1-amine?
The canonical SMILES for cyclohexanamine;N-methylbutan-1-amine is CCCCNC.NC1CCCCC1.
What is the InChIKey of cyclohexanamine;N-methylbutan-1-amine?
The InChIKey is SKNUWLJKSMWPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C5H13N/c7-6-4-2-1-3-5-6;1-3-4-5-6-2/h6H,1-5,7H2;6H,3-5H2,1-2H3.
What are the key properties of cyclohexanamine;N-methylbutan-1-amine?
cyclohexanamine;N-methylbutan-1-amine has a molecular weight of 186.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;N-methylbutan-1-amine is sourced from PubChem (CID 22649907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).