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

C14H21N5S — CID 62421566

IUPACN-[[1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCN(CCn1cc(CNC2CC2)nn1)Cc1ccsc1
InChIInChI=1S/C14H21N5S/c1-18(9-12-4-7-20-11-12)5-6-19-10-14(16-17-19)8-15-13-2-3-13/h4,7,10-11,13,15H,2-3,5-6,8-9H2,1H3
InChIKeyKKWWCHBBEBBZOH-UHFFFAOYSA-N
MW291.42 g/mol
LogP1.72
Rot. Bonds8

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

N-[[1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine (PubChem CID 62421566) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[[1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine
PubChem CID62421566
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC NameN-[[1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCN(CCn1cc(CNC2CC2)nn1)Cc1ccsc1
InChIInChI=1S/C14H21N5S/c1-18(9-12-4-7-20-11-12)5-6-19-10-14(16-17-19)8-15-13-2-3-13/h4,7,10-11,13,15H,2-3,5-6,8-9H2,1H3
InChIKeyKKWWCHBBEBBZOH-UHFFFAOYSA-N
XLogP1.72
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine with MolForge

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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-[[1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine (CID 62421566) is N-[[1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine is CN(CCn1cc(CNC2CC2)nn1)Cc1ccsc1.
What is the InChIKey of N-[[1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is KKWWCHBBEBBZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-18(9-12-4-7-20-11-12)5-6-19-10-14(16-17-19)8-15-13-2-3-13/h4,7,10-11,13,15H,2-3,5-6,8-9H2,1H3.
What are the key properties of N-[[1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine?
N-[[1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 291.42 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62421566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).