cyclohexanamine;N-ethylbutan-1-amine

C12H28N2 — CID 22649799

IUPACcyclohexanamine;N-ethylbutan-1-amine
SMILESCCCCNCC.NC1CCCCC1
InChIInChI=1S/C6H13N.C6H15N/c7-6-4-2-1-3-5-6;1-3-5-6-7-4-2/h6H,1-5,7H2;7H,3-6H2,1-2H3
InChIKeyPDSXWPRTHISDSI-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.67
Rot. Bonds4

About cyclohexanamine;N-ethylbutan-1-amine

cyclohexanamine;N-ethylbutan-1-amine (PubChem CID 22649799) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is cyclohexanamine;N-ethylbutan-1-amine.

Molecular Properties

Compound Namecyclohexanamine;N-ethylbutan-1-amine
PubChem CID22649799
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Namecyclohexanamine;N-ethylbutan-1-amine
SMILESCCCCNCC.NC1CCCCC1
InChIInChI=1S/C6H13N.C6H15N/c7-6-4-2-1-3-5-6;1-3-5-6-7-4-2/h6H,1-5,7H2;7H,3-6H2,1-2H3
InChIKeyPDSXWPRTHISDSI-UHFFFAOYSA-N
XLogP2.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.67
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-methylbutan-1-amine
CID 22649907
cyclohexanamine;N-ethylethanamine;N-methylmethanamine;dihydrobromide
CID 160905019
N-(2-cyclohexylethyl)butan-1-amine;hydrochloride
CID 57440786
azane;cyclohexanamine;ethanamine;N-ethylethanamine;N-methylethanamine
CID 157130667
2-(butylaminomethyl)cyclohexan-1-amine
CID 64850484
N'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine
CID 58965168
cyclohexanamine;N-ethylcyclohexanamine
CID 22649726
N'-butyl-N-ethylnonane-1,9-diamine
CID 138750457
cyclohexanamine;ethanol
CID 159108869
cycloheptanamine;ethanol
CID 158239152
N'-[2-[2-(butylamino)ethylamino]ethyl]-N-[2-(ethylamino)ethyl]propane-1,3-diamine
CID 25107796
N-[[3-(aminomethyl)cyclononyl]methyl]ethanamine
CID 154972163

Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;N-ethylbutan-1-amine?
The IUPAC name of cyclohexanamine;N-ethylbutan-1-amine (CID 22649799) is cyclohexanamine;N-ethylbutan-1-amine.
What is the SMILES notation for cyclohexanamine;N-ethylbutan-1-amine?
The canonical SMILES for cyclohexanamine;N-ethylbutan-1-amine is CCCCNCC.NC1CCCCC1.
What is the InChIKey of cyclohexanamine;N-ethylbutan-1-amine?
The InChIKey is PDSXWPRTHISDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C6H15N/c7-6-4-2-1-3-5-6;1-3-5-6-7-4-2/h6H,1-5,7H2;7H,3-6H2,1-2H3.
What are the key properties of cyclohexanamine;N-ethylbutan-1-amine?
cyclohexanamine;N-ethylbutan-1-amine has a molecular weight of 200.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;N-ethylbutan-1-amine is sourced from PubChem (CID 22649799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).