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

C17H20N6 — CID 67407317

IUPACN-[(1R)-1-naphthalen-1-ylethyl]-1-(2H-tetrazol-5-yl)pyrrolidin-3-amine
SMILESC[C@@H](NC1CCN(c2nn[nH]n2)C1)c1cccc2ccccc12
InChIInChI=1S/C17H20N6/c1-12(15-8-4-6-13-5-2-3-7-16(13)15)18-14-9-10-23(11-14)17-19-21-22-20-17/h2-8,12,14,18H,9-11H2,1H3,(H,19,20,21,22)/t12-,14?/m1/s1
InChIKeyJYSIXCITTMJPFU-PUODRLBUSA-N
MW308.39 g/mol
LogP2.28
Rot. Bonds4

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

N-[(1R)-1-naphthalen-1-ylethyl]-1-(2H-tetrazol-5-yl)pyrrolidin-3-amine (PubChem CID 67407317) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is N-[(1R)-1-naphthalen-1-ylethyl]-1-(2H-tetrazol-5-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(1R)-1-naphthalen-1-ylethyl]-1-(2H-tetrazol-5-yl)pyrrolidin-3-amine
PubChem CID67407317
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC NameN-[(1R)-1-naphthalen-1-ylethyl]-1-(2H-tetrazol-5-yl)pyrrolidin-3-amine
SMILESC[C@@H](NC1CCN(c2nn[nH]n2)C1)c1cccc2ccccc12
InChIInChI=1S/C17H20N6/c1-12(15-8-4-6-13-5-2-3-7-16(13)15)18-14-9-10-23(11-14)17-19-21-22-20-17/h2-8,12,14,18H,9-11H2,1H3,(H,19,20,21,22)/t12-,14?/m1/s1
InChIKeyJYSIXCITTMJPFU-PUODRLBUSA-N
XLogP2.28
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-naphthalen-1-ylethyl]-1-(2H-tetrazol-5-yl)pyrrolidin-3-amine?
The IUPAC name of N-[(1R)-1-naphthalen-1-ylethyl]-1-(2H-tetrazol-5-yl)pyrrolidin-3-amine (CID 67407317) is N-[(1R)-1-naphthalen-1-ylethyl]-1-(2H-tetrazol-5-yl)pyrrolidin-3-amine.
What is the SMILES notation for N-[(1R)-1-naphthalen-1-ylethyl]-1-(2H-tetrazol-5-yl)pyrrolidin-3-amine?
The canonical SMILES for N-[(1R)-1-naphthalen-1-ylethyl]-1-(2H-tetrazol-5-yl)pyrrolidin-3-amine is C[C@@H](NC1CCN(c2nn[nH]n2)C1)c1cccc2ccccc12.
What is the InChIKey of N-[(1R)-1-naphthalen-1-ylethyl]-1-(2H-tetrazol-5-yl)pyrrolidin-3-amine?
The InChIKey is JYSIXCITTMJPFU-PUODRLBUSA-N. The full InChI is InChI=1S/C17H20N6/c1-12(15-8-4-6-13-5-2-3-7-16(13)15)18-14-9-10-23(11-14)17-19-21-22-20-17/h2-8,12,14,18H,9-11H2,1H3,(H,19,20,21,22)/t12-,14?/m1/s1.
What are the key properties of N-[(1R)-1-naphthalen-1-ylethyl]-1-(2H-tetrazol-5-yl)pyrrolidin-3-amine?
N-[(1R)-1-naphthalen-1-ylethyl]-1-(2H-tetrazol-5-yl)pyrrolidin-3-amine has a molecular weight of 308.39 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-naphthalen-1-ylethyl]-1-(2H-tetrazol-5-yl)pyrrolidin-3-amine is sourced from PubChem (CID 67407317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).