N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclopentanamine

C14H25N5 — CID 62418703

IUPACN-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclopentanamine
SMILESCN(CCn1cc(CNC2CC2)nn1)C1CCCC1
InChIInChI=1S/C14H25N5/c1-18(14-4-2-3-5-14)8-9-19-11-13(16-17-19)10-15-12-6-7-12/h11-12,14-15H,2-10H2,1H3
InChIKeyVWXSBAOHKSPBJO-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.40
Rot. Bonds7

About N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclopentanamine

N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclopentanamine (PubChem CID 62418703) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclopentanamine.

Molecular Properties

Compound NameN-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclopentanamine
PubChem CID62418703
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC NameN-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclopentanamine
SMILESCN(CCn1cc(CNC2CC2)nn1)C1CCCC1
InChIInChI=1S/C14H25N5/c1-18(14-4-2-3-5-14)8-9-19-11-13(16-17-19)10-15-12-6-7-12/h11-12,14-15H,2-10H2,1H3
InChIKeyVWXSBAOHKSPBJO-UHFFFAOYSA-N
XLogP1.40
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclohexanamine
CID 62425720
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylcyclopentanamine
CID 62419091
N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N,2-dimethyloxolan-3-amine
CID 82753893
4-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N,N-dimethylbutanamide
CID 66192832
N,2-dimethyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]cyclohexan-1-amine
CID 62462234
N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine
CID 66193005
N-[[1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62428767
1-[2-[cyclopentyl(methyl)amino]ethyl]triazole-4-carboxylic acid
CID 43267317
N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]cyclopropanamine
CID 66192433
N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66194558
N-[[1-[(4-ethylphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66194177
2-[4-[[(4-aminocyclohexyl)amino]methyl]triazol-1-yl]ethanol
CID 66268121

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclopentanamine?
The IUPAC name of N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclopentanamine (CID 62418703) is N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclopentanamine.
What is the SMILES notation for N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclopentanamine?
The canonical SMILES for N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclopentanamine is CN(CCn1cc(CNC2CC2)nn1)C1CCCC1.
What is the InChIKey of N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclopentanamine?
The InChIKey is VWXSBAOHKSPBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-18(14-4-2-3-5-14)8-9-19-11-13(16-17-19)10-15-12-6-7-12/h11-12,14-15H,2-10H2,1H3.
What are the key properties of N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclopentanamine?
N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclopentanamine has a molecular weight of 263.39 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclopentanamine is sourced from PubChem (CID 62418703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).