cyclohexanamine;N-ethylethanamine;N-methylmethanamine;dihydrobromide

C12H33Br2N3 — CID 160905019

IUPACcyclohexanamine;N-ethylethanamine;N-methylmethanamine;dihydrobromide
SMILESBr.Br.CCNCC.CNC.NC1CCCCC1
InChIInChI=1S/C6H13N.C4H11N.C2H7N.2BrH/c7-6-4-2-1-3-5-6;1-3-5-4-2;1-3-2;;/h6H,1-5,7H2;5H,3-4H2,1-2H3;3H,1-2H3;2*1H
InChIKeyCDSAUHSTAQDVND-UHFFFAOYSA-N
MW379.23 g/mol
LogP2.88
Rot. Bonds2

About cyclohexanamine;N-ethylethanamine;N-methylmethanamine;dihydrobromide

cyclohexanamine;N-ethylethanamine;N-methylmethanamine;dihydrobromide (PubChem CID 160905019) has the molecular formula C12H33Br2N3 and a molecular weight of 379.23 g/mol. Its IUPAC name is cyclohexanamine;N-ethylethanamine;N-methylmethanamine;dihydrobromide.

Molecular Properties

Compound Namecyclohexanamine;N-ethylethanamine;N-methylmethanamine;dihydrobromide
PubChem CID160905019
Molecular FormulaC12H33Br2N3
Molecular Weight379.23 g/mol
Exact Mass377.10
IUPAC Namecyclohexanamine;N-ethylethanamine;N-methylmethanamine;dihydrobromide
SMILESBr.Br.CCNCC.CNC.NC1CCCCC1
InChIInChI=1S/C6H13N.C4H11N.C2H7N.2BrH/c7-6-4-2-1-3-5-6;1-3-5-4-2;1-3-2;;/h6H,1-5,7H2;5H,3-4H2,1-2H3;3H,1-2H3;2*1H
InChIKeyCDSAUHSTAQDVND-UHFFFAOYSA-N
XLogP2.88
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

azane;cyclohexanamine;ethanamine;N-ethylethanamine;N-methylethanamine
CID 157130667
cyclohexanamine;N-ethylbutan-1-amine
CID 22649799
cyclohexanamine;N-ethylcyclohexanamine
CID 22649726
cyclohexanamine;ethanol
CID 159108869
cycloheptanamine;ethanol
CID 158239152
CID 175698442
CID 175698442
cyclopropanamine;N-methylmethanamine
CID 69172103
cyclohexanamine;N-methylbutan-1-amine
CID 22649907
cycloheptanamine;cyclopentanamine;N-(pyridin-4-ylmethyl)ethanamine
CID 70106759
azane;cycloheptanamine
CID 135353953
azane;cyclopropane;N-ethylethanamine
CID 68905372
(5S)-5-ethylcyclononan-1-amine
CID 163875041

Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;N-ethylethanamine;N-methylmethanamine;dihydrobromide?
The IUPAC name of cyclohexanamine;N-ethylethanamine;N-methylmethanamine;dihydrobromide (CID 160905019) is cyclohexanamine;N-ethylethanamine;N-methylmethanamine;dihydrobromide.
What is the SMILES notation for cyclohexanamine;N-ethylethanamine;N-methylmethanamine;dihydrobromide?
The canonical SMILES for cyclohexanamine;N-ethylethanamine;N-methylmethanamine;dihydrobromide is Br.Br.CCNCC.CNC.NC1CCCCC1.
What is the InChIKey of cyclohexanamine;N-ethylethanamine;N-methylmethanamine;dihydrobromide?
The InChIKey is CDSAUHSTAQDVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C4H11N.C2H7N.2BrH/c7-6-4-2-1-3-5-6;1-3-5-4-2;1-3-2;;/h6H,1-5,7H2;5H,3-4H2,1-2H3;3H,1-2H3;2*1H.
What are the key properties of cyclohexanamine;N-ethylethanamine;N-methylmethanamine;dihydrobromide?
cyclohexanamine;N-ethylethanamine;N-methylmethanamine;dihydrobromide has a molecular weight of 379.23 g/mol, XLogP of 2.88, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;N-ethylethanamine;N-methylmethanamine;dihydrobromide is sourced from PubChem (CID 160905019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).