trans-(1S,2S)-2-benzyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine

C18H26N4 — CID 99834724

IUPACtrans-(1S,2S)-2-benzyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
SMILESCCn1c(C)nnc1CN[C@H]1CCC[C@H]1Cc1ccccc1
InChIInChI=1S/C18H26N4/c1-3-22-14(2)20-21-18(22)13-19-17-11-7-10-16(17)12-15-8-5-4-6-9-15/h4-6,8-9,16-17,19H,3,7,10-13H2,1-2H3/t16-,17-/m0/s1
InChIKeyVGXFFTOLRVAGJN-IRXDYDNUSA-N
MW298.43 g/mol
LogP3.11
Rot. Bonds6

About trans-(1S,2S)-2-benzyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine

trans-(1S,2S)-2-benzyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine (PubChem CID 99834724) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is trans-(1S,2S)-2-benzyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-benzyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
PubChem CID99834724
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Nametrans-(1S,2S)-2-benzyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
SMILESCCn1c(C)nnc1CN[C@H]1CCC[C@H]1Cc1ccccc1
InChIInChI=1S/C18H26N4/c1-3-22-14(2)20-21-18(22)13-19-17-11-7-10-16(17)12-15-8-5-4-6-9-15/h4-6,8-9,16-17,19H,3,7,10-13H2,1-2H3/t16-,17-/m0/s1
InChIKeyVGXFFTOLRVAGJN-IRXDYDNUSA-N
XLogP3.11
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze trans-(1S,2S)-2-benzyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine with MolForge

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Related Compounds

trans-(1R,2R)-2-benzyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 99834721
2-[[(1S,2R)-2-benzylcyclopentyl]amino]acetonitrile
CID 99792150
N-benzyl-2-ethylcyclohexan-1-amine
CID 43434056
trans-(1S,2S)-2-benzyl-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentan-1-amine
CID 99796112
trans-(1S,2S)-2-benzyl-N-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]cyclopentan-1-amine
CID 124741984
cis-(1R,2S)-2-benzyl-N-[3-(3-ethyl-1,2-oxazol-5-yl)propyl]cyclopentan-1-amine
CID 124741983
N-[2-[[(1S,2S)-2-benzylcyclopentyl]amino]ethyl]acetamide
CID 99579151
N'-[(1R,2S)-2-benzylcyclopentyl]acetohydrazide
CID 125464208
(2R)-1-[[(1R,2R)-2-benzylcyclopentyl]amino]-3-(dimethylamino)propan-2-ol
CID 99815208
N-propyl-2-(pyridin-3-ylmethyl)cyclopentan-1-amine
CID 104736957
(4S,5R)-4-[[[(1S,2R)-2-benzylcyclopentyl]amino]methyl]-1-methyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 129337442
2-[(4-methylphenyl)methyl]-N-propylcyclohexan-1-amine
CID 55185583

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-benzyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine?
The IUPAC name of trans-(1S,2S)-2-benzyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine (CID 99834724) is trans-(1S,2S)-2-benzyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-benzyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-benzyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine is CCn1c(C)nnc1CN[C@H]1CCC[C@H]1Cc1ccccc1.
What is the InChIKey of trans-(1S,2S)-2-benzyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine?
The InChIKey is VGXFFTOLRVAGJN-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H26N4/c1-3-22-14(2)20-21-18(22)13-19-17-11-7-10-16(17)12-15-8-5-4-6-9-15/h4-6,8-9,16-17,19H,3,7,10-13H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of trans-(1S,2S)-2-benzyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine?
trans-(1S,2S)-2-benzyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine has a molecular weight of 298.43 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-benzyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 99834724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).