1-[(5-bromo-3-methyltriazol-4-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine

C13H24BrN5 — CID 106462655

IUPAC1-[(5-bromo-3-methyltriazol-4-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCCNC(c1c(Br)nnn1C)C1(N(C)C)CCCC1
InChIInChI=1S/C13H24BrN5/c1-5-15-11(10-12(14)16-17-19(10)4)13(18(2)3)8-6-7-9-13/h11,15H,5-9H2,1-4H3
InChIKeyZZPAYTZTTZTXAZ-UHFFFAOYSA-N
MW330.27 g/mol
LogP2.10
Rot. Bonds5

About 1-[(5-bromo-3-methyltriazol-4-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine

1-[(5-bromo-3-methyltriazol-4-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 106462655) has the molecular formula C13H24BrN5 and a molecular weight of 330.27 g/mol. Its IUPAC name is 1-[(5-bromo-3-methyltriazol-4-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[(5-bromo-3-methyltriazol-4-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID106462655
Molecular FormulaC13H24BrN5
Molecular Weight330.27 g/mol
Exact Mass329.12
IUPAC Name1-[(5-bromo-3-methyltriazol-4-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCCNC(c1c(Br)nnn1C)C1(N(C)C)CCCC1
InChIInChI=1S/C13H24BrN5/c1-5-15-11(10-12(14)16-17-19(10)4)13(18(2)3)8-6-7-9-13/h11,15H,5-9H2,1-4H3
InChIKeyZZPAYTZTTZTXAZ-UHFFFAOYSA-N
XLogP2.10
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-bromo-3-methyltriazol-4-yl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830779
N-[(5-bromo-3-methyltriazol-4-yl)-(1-methoxycyclopentyl)methyl]propan-1-amine
CID 106462943
N-[(5-bromo-3-methyltriazol-4-yl)-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 106463034
1-(5-bromo-3-methyltriazol-4-yl)-N-ethylpropan-1-amine
CID 106462146
[(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycycloheptyl)methyl]hydrazine
CID 106466257
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine
CID 106462661
N-[(5-bromo-3-methyltriazol-4-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 106465384
1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 106462385
1-[(4-chloro-1-ethylpyrazol-5-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 114656983
1-(5-bromo-3-methyltriazol-4-yl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 106464880
1-[ethylamino-(1-methylpyrazol-3-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 103131095
1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 106463020

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-methyltriazol-4-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[(5-bromo-3-methyltriazol-4-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine (CID 106462655) is 1-[(5-bromo-3-methyltriazol-4-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[(5-bromo-3-methyltriazol-4-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[(5-bromo-3-methyltriazol-4-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine is CCNC(c1c(Br)nnn1C)C1(N(C)C)CCCC1.
What is the InChIKey of 1-[(5-bromo-3-methyltriazol-4-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is ZZPAYTZTTZTXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrN5/c1-5-15-11(10-12(14)16-17-19(10)4)13(18(2)3)8-6-7-9-13/h11,15H,5-9H2,1-4H3.
What are the key properties of 1-[(5-bromo-3-methyltriazol-4-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
1-[(5-bromo-3-methyltriazol-4-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 330.27 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-3-methyltriazol-4-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 106462655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).