N-[[1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine

C14H25N5O — CID 62433300

IUPACN-[[1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCC1(C)CN(CCn2cc(CNC3CC3)nn2)CCO1
InChIInChI=1S/C14H25N5O/c1-14(2)11-18(7-8-20-14)5-6-19-10-13(16-17-19)9-15-12-3-4-12/h10,12,15H,3-9,11H2,1-2H3
InChIKeyQEXXYCFHMADHLN-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.64
Rot. Bonds6

About N-[[1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine

N-[[1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine (PubChem CID 62433300) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[[1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
PubChem CID62433300
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-[[1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCC1(C)CN(CCn2cc(CNC3CC3)nn2)CCO1
InChIInChI=1S/C14H25N5O/c1-14(2)11-18(7-8-20-14)5-6-19-10-13(16-17-19)9-15-12-3-4-12/h10,12,15H,3-9,11H2,1-2H3
InChIKeyQEXXYCFHMADHLN-UHFFFAOYSA-N
XLogP0.64
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
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-[[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62421520
N-[[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 106316630
N-[[1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 64581206
N-[[3-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62432060
N-[[1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 63621483
N-[[1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclohexanamine
CID 154769345
N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine
CID 66193005
2,2-dimethyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine
CID 115563730
N-[[1-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 63621508
2-[4-[[(1-propylpiperidin-4-yl)amino]methyl]triazol-1-yl]ethanol
CID 66269974
2,2-dimethyl-4-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]morpholine
CID 45238120
N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]cyclopropanamine
CID 66192433

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine (CID 62433300) is N-[[1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine is CC1(C)CN(CCn2cc(CNC3CC3)nn2)CCO1.
What is the InChIKey of N-[[1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is QEXXYCFHMADHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-14(2)11-18(7-8-20-14)5-6-19-10-13(16-17-19)9-15-12-3-4-12/h10,12,15H,3-9,11H2,1-2H3.
What are the key properties of N-[[1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine?
N-[[1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 279.39 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62433300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).