N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N,2-dimethyloxolan-3-amine

C14H25N5O — CID 82753893

IUPACN-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N,2-dimethyloxolan-3-amine
SMILESCC1OCCC1N(C)CCn1cc(CNC2CC2)nn1
InChIInChI=1S/C14H25N5O/c1-11-14(5-8-20-11)18(2)6-7-19-10-13(16-17-19)9-15-12-3-4-12/h10-12,14-15H,3-9H2,1-2H3
InChIKeyYGQXRAMQOHWHGG-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.64
Rot. Bonds7

About N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N,2-dimethyloxolan-3-amine

N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N,2-dimethyloxolan-3-amine (PubChem CID 82753893) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N,2-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N,2-dimethyloxolan-3-amine
PubChem CID82753893
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N,2-dimethyloxolan-3-amine
SMILESCC1OCCC1N(C)CCn1cc(CNC2CC2)nn1
InChIInChI=1S/C14H25N5O/c1-11-14(5-8-20-11)18(2)6-7-19-10-13(16-17-19)9-15-12-3-4-12/h10-12,14-15H,3-9H2,1-2H3
InChIKeyYGQXRAMQOHWHGG-UHFFFAOYSA-N
XLogP0.64
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclopentanamine
CID 62418703
N,2-dimethyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]cyclohexan-1-amine
CID 62462234
4-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N,N-dimethylbutanamide
CID 66192832
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
N-cyclopropyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82734841
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-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62455737
N-[[1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62433300
2-[4-[[(4-aminocyclohexyl)amino]methyl]triazol-1-yl]ethanol
CID 66268121
N-[[1-[(4-ethylphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66194177

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N,2-dimethyloxolan-3-amine?
The IUPAC name of N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N,2-dimethyloxolan-3-amine (CID 82753893) is N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N,2-dimethyloxolan-3-amine.
What is the SMILES notation for N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N,2-dimethyloxolan-3-amine?
The canonical SMILES for N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N,2-dimethyloxolan-3-amine is CC1OCCC1N(C)CCn1cc(CNC2CC2)nn1.
What is the InChIKey of N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N,2-dimethyloxolan-3-amine?
The InChIKey is YGQXRAMQOHWHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-11-14(5-8-20-11)18(2)6-7-19-10-13(16-17-19)9-15-12-3-4-12/h10-12,14-15H,3-9H2,1-2H3.
What are the key properties of N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N,2-dimethyloxolan-3-amine?
N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N,2-dimethyloxolan-3-amine has a molecular weight of 279.39 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N,2-dimethyloxolan-3-amine is sourced from PubChem (CID 82753893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).