N-[[1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]triazol-4-yl]methyl]cyclopropanamine

C14H25N5O — CID 64581206

IUPACN-[[1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCOCC1CCN(CCn2cc(CNC3CC3)nn2)C1
InChIInChI=1S/C14H25N5O/c1-20-11-12-4-5-18(9-12)6-7-19-10-14(16-17-19)8-15-13-2-3-13/h10,12-13,15H,2-9,11H2,1H3
InChIKeyKEBIIOUGYAMJBZ-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.50
Rot. Bonds8

About N-[[1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]triazol-4-yl]methyl]cyclopropanamine

N-[[1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]triazol-4-yl]methyl]cyclopropanamine (PubChem CID 64581206) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[[1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]triazol-4-yl]methyl]cyclopropanamine
PubChem CID64581206
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-[[1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCOCC1CCN(CCn2cc(CNC3CC3)nn2)C1
InChIInChI=1S/C14H25N5O/c1-20-11-12-4-5-18(9-12)6-7-19-10-14(16-17-19)8-15-13-2-3-13/h10,12-13,15H,2-9,11H2,1H3
InChIKeyKEBIIOUGYAMJBZ-UHFFFAOYSA-N
XLogP0.50
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]triazol-4-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]triazol-4-yl]-N-methylmethanamine
CID 63979109
N-[[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62421520
[1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]triazol-4-yl]methanamine
CID 106587344
N-[[1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 63621483
N-[[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 106316630
N-[[1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62433300
N-methyl-1-[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methanamine
CID 62427489
N-[[1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclohexanamine
CID 154769345
2-[4-[[(1-propylpiperidin-4-yl)amino]methyl]triazol-1-yl]ethanol
CID 66269974
N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine
CID 66193005
1-[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine
CID 62421335
2-[4-[[(4-aminocyclohexyl)amino]methyl]triazol-1-yl]ethanol
CID 66268121

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]triazol-4-yl]methyl]cyclopropanamine (CID 64581206) is N-[[1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]triazol-4-yl]methyl]cyclopropanamine is COCC1CCN(CCn2cc(CNC3CC3)nn2)C1.
What is the InChIKey of N-[[1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is KEBIIOUGYAMJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-20-11-12-4-5-18(9-12)6-7-19-10-14(16-17-19)8-15-13-2-3-13/h10,12-13,15H,2-9,11H2,1H3.
What are the key properties of N-[[1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]triazol-4-yl]methyl]cyclopropanamine?
N-[[1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 279.39 g/mol, XLogP of 0.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 64581206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).