N-[[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine

C14H23N5 — CID 106316630

IUPACN-[[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCC1=CCCN(CCn2cc(CNC3CC3)nn2)C1
InChIInChI=1S/C14H23N5/c1-12-3-2-6-18(10-12)7-8-19-11-14(16-17-19)9-15-13-4-5-13/h3,11,13,15H,2,4-10H2,1H3
InChIKeyGWRRVYRZPJQFRM-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.18
Rot. Bonds6

About N-[[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine

N-[[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine (PubChem CID 106316630) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
PubChem CID106316630
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN-[[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCC1=CCCN(CCn2cc(CNC3CC3)nn2)C1
InChIInChI=1S/C14H23N5/c1-12-3-2-6-18(10-12)7-8-19-11-14(16-17-19)9-15-13-4-5-13/h3,11,13,15H,2,4-10H2,1H3
InChIKeyGWRRVYRZPJQFRM-UHFFFAOYSA-N
XLogP1.18
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-((1-methyl-1H-1,2,3-triazol-4-yl)methyl)cyclopropanamine
CID 62755384
N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 55073868
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 62426644
N-[[1-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62426664
N-[2-[4-(propylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 62426821
N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 62426822
N-[[1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62426986
N-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62427790
N-[[1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62428767
N-[[1-[2-[methyl(3,3,3-trifluoropropyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 65531299
N-[[1-(2-fluoroethyl)triazol-4-yl]methyl]cyclopropanamine
CID 80698331
N-[[1-(3-fluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 81109598

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine (CID 106316630) is N-[[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine is CC1=CCCN(CCn2cc(CNC3CC3)nn2)C1.
What is the InChIKey of N-[[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is GWRRVYRZPJQFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-12-3-2-6-18(10-12)7-8-19-11-14(16-17-19)9-15-13-4-5-13/h3,11,13,15H,2,4-10H2,1H3.
What are the key properties of N-[[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine?
N-[[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 261.37 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106316630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).