N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine

C15H23N5S — CID 62436983

IUPACN-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESCCNCc1cn(CCN(Cc2ccsc2)C2CC2)nn1
InChIInChI=1S/C15H23N5S/c1-2-16-9-14-11-20(18-17-14)7-6-19(15-3-4-15)10-13-5-8-21-12-13/h5,8,11-12,15-16H,2-4,6-7,9-10H2,1H3
InChIKeyAUAUDGSYSVOVNC-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.11
Rot. Bonds9

About N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine

N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine (PubChem CID 62436983) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
PubChem CID62436983
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC NameN-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESCCNCc1cn(CCN(Cc2ccsc2)C2CC2)nn1
InChIInChI=1S/C15H23N5S/c1-2-16-9-14-11-20(18-17-14)7-6-19(15-3-4-15)10-13-5-8-21-12-13/h5,8,11-12,15-16H,2-4,6-7,9-10H2,1H3
InChIKeyAUAUDGSYSVOVNC-UHFFFAOYSA-N
XLogP2.11
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(1-pyrrolidinylmethyl)-1H-1,2,3-triazol-1-yl]-1-(3-thienylmethyl)piperidine bis(trifluoroacetate)
CID 29029926
N-methyl-1-{1-[1-(3-thienylmethyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}methanamine bis(trifluoroacetate)
CID 31162386
4-(Methylsulfanylmethyl)-1-(thiophen-3-ylmethyl)triazole
CID 68515541
5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-4,5-dihydro-1H-imidazol-2-amine
CID 70964432
1-[4-[(1S)-2-methyl-1-(thiophen-3-ylmethylamino)propyl]triazol-1-yl]cyclopropane-1-carbonitrile
CID 89643171
propane;N'-[(Z)-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]but-2-en-2-yl]ethanimidamide
CID 144021757
N-[(1-methylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine
CID 19626483
N-[(1-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine
CID 19626496
1-methyl-N-(thiophen-3-ylmethyl)-1H-pyrazol-4-amine
CID 19626717
1,3-dimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
CID 19626756
1,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
CID 19626769
1-ethyl-N-[(thiophen-3-yl)methyl]-1H-pyrazol-4-amine
CID 19626782

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine (CID 62436983) is N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine is CCNCc1cn(CCN(Cc2ccsc2)C2CC2)nn1.
What is the InChIKey of N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The InChIKey is AUAUDGSYSVOVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-2-16-9-14-11-20(18-17-14)7-6-19(15-3-4-15)10-13-5-8-21-12-13/h5,8,11-12,15-16H,2-4,6-7,9-10H2,1H3.
What are the key properties of N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine has a molecular weight of 305.45 g/mol, XLogP of 2.11, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 62436983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).