cis-(1S,3R)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine

C24H25N5 — CID 67296278

IUPACcis-(1S,3R)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine
SMILESC[C@@H](N[C@H]1CC[C@@H](c2cccc(-c3nn[nH]n3)c2)C1)c1cccc2ccccc12
InChIInChI=1S/C24H25N5/c1-16(22-11-5-7-17-6-2-3-10-23(17)22)25-21-13-12-19(15-21)18-8-4-9-20(14-18)24-26-28-29-27-24/h2-11,14,16,19,21,25H,12-13,15H2,1H3,(H,26,27,28,29)/t16-,19-,21+/m1/s1
InChIKeyHRCOWYIVFKCDOY-BSIFCXSSSA-N
MW383.50 g/mol
LogP5.01
Rot. Bonds5

About cis-(1S,3R)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine

cis-(1S,3R)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine (PubChem CID 67296278) has the molecular formula C24H25N5 and a molecular weight of 383.50 g/mol. Its IUPAC name is cis-(1S,3R)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine
PubChem CID67296278
Molecular FormulaC24H25N5
Molecular Weight383.50 g/mol
Exact Mass383.21
IUPAC Namecis-(1S,3R)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine
SMILESC[C@@H](N[C@H]1CC[C@@H](c2cccc(-c3nn[nH]n3)c2)C1)c1cccc2ccccc12
InChIInChI=1S/C24H25N5/c1-16(22-11-5-7-17-6-2-3-10-23(17)22)25-21-13-12-19(15-21)18-8-4-9-20(14-18)24-26-28-29-27-24/h2-11,14,16,19,21,25H,12-13,15H2,1H3,(H,26,27,28,29)/t16-,19-,21+/m1/s1
InChIKeyHRCOWYIVFKCDOY-BSIFCXSSSA-N
XLogP5.01
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine (CID 67296278) is cis-(1S,3R)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine is C[C@@H](N[C@H]1CC[C@@H](c2cccc(-c3nn[nH]n3)c2)C1)c1cccc2ccccc12.
What is the InChIKey of cis-(1S,3R)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine?
The InChIKey is HRCOWYIVFKCDOY-BSIFCXSSSA-N. The full InChI is InChI=1S/C24H25N5/c1-16(22-11-5-7-17-6-2-3-10-23(17)22)25-21-13-12-19(15-21)18-8-4-9-20(14-18)24-26-28-29-27-24/h2-11,14,16,19,21,25H,12-13,15H2,1H3,(H,26,27,28,29)/t16-,19-,21+/m1/s1.
What are the key properties of cis-(1S,3R)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine?
cis-(1S,3R)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine has a molecular weight of 383.50 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine is sourced from PubChem (CID 67296278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).