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

C24H25N5 — CID 46181107

IUPACN-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine
SMILESC[C@@H](NC1CCC(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-YLZJTPGZSA-N
MW383.50 g/mol
LogP5.01
Rot. Bonds5

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

N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine (PubChem CID 46181107) has the molecular formula C24H25N5 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine
PubChem CID46181107
Molecular FormulaC24H25N5
Molecular Weight383.50 g/mol
Exact Mass383.21
IUPAC NameN-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine
SMILESC[C@@H](NC1CCC(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-YLZJTPGZSA-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 N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine?
The IUPAC name of N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine (CID 46181107) is N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine.
What is the SMILES notation for N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine?
The canonical SMILES for N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine is C[C@@H](NC1CCC(c2cccc(-c3nn[nH]n3)c2)C1)c1cccc2ccccc12.
What is the InChIKey of N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine?
The InChIKey is HRCOWYIVFKCDOY-YLZJTPGZSA-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 N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine?
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 N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine is sourced from PubChem (CID 46181107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).