cis-(1R,2R)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylcyclopentan-1-amine

C19H26N4 — CID 99634981

IUPACcis-(1R,2R)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylcyclopentan-1-amine
SMILESCn1c(CN[C@@H]2CCC[C@@H]2c2ccccc2)nnc1C1CCC1
InChIInChI=1S/C19H26N4/c1-23-18(21-22-19(23)15-9-5-10-15)13-20-17-12-6-11-16(17)14-7-3-2-4-8-14/h2-4,7-8,15-17,20H,5-6,9-13H2,1H3/t16-,17-/m1/s1
InChIKeyWRYWXIHDQRCXCU-IAGOWNOFSA-N
MW310.44 g/mol
LogP3.51
Rot. Bonds5

About cis-(1R,2R)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylcyclopentan-1-amine

cis-(1R,2R)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylcyclopentan-1-amine (PubChem CID 99634981) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is cis-(1R,2R)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylcyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,2R)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylcyclopentan-1-amine
PubChem CID99634981
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Namecis-(1R,2R)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylcyclopentan-1-amine
SMILESCn1c(CN[C@@H]2CCC[C@@H]2c2ccccc2)nnc1C1CCC1
InChIInChI=1S/C19H26N4/c1-23-18(21-22-19(23)15-9-5-10-15)13-20-17-12-6-11-16(17)14-7-3-2-4-8-14/h2-4,7-8,15-17,20H,5-6,9-13H2,1H3/t16-,17-/m1/s1
InChIKeyWRYWXIHDQRCXCU-IAGOWNOFSA-N
XLogP3.51
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylcyclopentan-1-amine?
The IUPAC name of cis-(1R,2R)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylcyclopentan-1-amine (CID 99634981) is cis-(1R,2R)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylcyclopentan-1-amine.
What is the SMILES notation for cis-(1R,2R)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylcyclopentan-1-amine?
The canonical SMILES for cis-(1R,2R)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylcyclopentan-1-amine is Cn1c(CN[C@@H]2CCC[C@@H]2c2ccccc2)nnc1C1CCC1.
What is the InChIKey of cis-(1R,2R)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylcyclopentan-1-amine?
The InChIKey is WRYWXIHDQRCXCU-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H26N4/c1-23-18(21-22-19(23)15-9-5-10-15)13-20-17-12-6-11-16(17)14-7-3-2-4-8-14/h2-4,7-8,15-17,20H,5-6,9-13H2,1H3/t16-,17-/m1/s1.
What are the key properties of cis-(1R,2R)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylcyclopentan-1-amine?
cis-(1R,2R)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylcyclopentan-1-amine has a molecular weight of 310.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylcyclopentan-1-amine is sourced from PubChem (CID 99634981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).